1# CRENBS ECP EMSL Basis Set Exchange Library 3/15/13 10:18 AM 2# Elements References 3# --------- ---------- 4# Sc - Co: M.M. Hurley et al., J. Chem. Phys., 84, 6840 (1986). 5# Ni L.A. LaJohn et al., J. Chem. Phys., 87, 2812 (1987). 6# Cu - Zn: M.M. Hurley et al., J. Chem. Phys., 84, 6840 (1986). 7# Y - Cd: L.A. LaJohn et al., J. Chem. Phys., 87, 2812 (1987). 8# La, Hf-Rn: R.B. Ross, W.C. Ermler, P.A. Christiansen et al. J. 9# Chem. Phys. 93, 6654 (1990). 10# Rf - Uuo: C.S. NASH, B.E. BURSTEN, W.C. ERMLER, J. CHEM. 11# PHYS. 1997 12# 13 14 15basis "Sc_CRENBS ECP" SPHERICAL 16Sc S 17 1.1290000 0.0354300 18 0.4512000 -0.3024760 19 0.0776000 0.6118060 20 0.0302700 0.5430820 21Sc D 22 12.2300000 0.0531110 23 3.1510000 0.2336770 24 0.9874000 0.4257610 25 0.3482000 0.3981110 26 0.1256000 0.2394890 27end 28basis "Ti_CRENBS ECP" SPHERICAL 29Ti S 30 1.2860000 0.0381350 31 0.5273000 -0.2956580 32 0.0854500 0.6035860 33 0.0329000 0.5441400 34Ti D 35 13.8600000 0.0593760 36 3.6000000 0.2570290 37 1.1380000 0.4425490 38 0.4139000 0.3771320 39 0.1517000 0.2071190 40end 41basis "V_CRENBS ECP" SPHERICAL 42V S 43 1.3510000 0.0431110 44 0.6008000 -0.2849460 45 0.0927500 0.5997440 46 0.0348200 0.5416930 47V D 48 16.4900000 0.0592100 49 4.2940000 0.2603080 50 1.3570000 0.4520980 51 0.4861000 0.3743630 52 0.1807000 0.1945810 53end 54basis "Cr_CRENBS ECP" SPHERICAL 55Cr S 56 1.6290000 0.0061940 57 0.5124000 -0.2733360 58 0.1060000 0.6050830 59 0.0377800 0.5659320 60Cr D 61 18.6400000 0.0619910 62 4.9400000 0.2685740 63 1.5860000 0.4534990 64 0.5810000 0.3626590 65 0.2161000 0.1903790 66end 67basis "Mn_CRENBS ECP" SPHERICAL 68Mn S 69 1.8050000 0.0279520 70 0.7001000 -0.2659690 71 0.1120000 0.5651140 72 0.0411700 0.5751150 73Mn D 74 21.5400000 0.0605270 75 5.6700000 0.2677310 76 1.8300000 0.4413160 77 0.6874000 0.3672010 78 0.2414000 0.2049740 79end 80basis "Fe_CRENBS ECP" SPHERICAL 81Fe S 82 1.9210000 0.0164600 83 0.7000000 -0.2600570 84 0.1139000 0.6487290 85 0.0404200 0.4994440 86Fe D 87 24.0800000 0.0613960 88 6.3760000 0.2713330 89 2.0370000 0.4491940 90 0.7593000 0.3434950 91 0.2913000 0.2159600 92end 93basis "Co_CRENBS ECP" SPHERICAL 94Co S 95 2.0170000 0.0118840 96 0.7330000 -0.2470350 97 0.1202000 0.6672230 98 0.0417100 0.4804050 99Co D 100 26.6400000 0.0629730 101 7.0710000 0.2761960 102 2.2510000 0.4545150 103 0.8039000 0.3613180 104 0.2857000 0.1949320 105end 106basis "Ni_CRENBS ECP" SPHERICAL 107Ni S 108 2.3620000 0.0103760 109 0.8079000 -0.2383840 110 0.1275000 0.6652290 111 0.0439800 0.4774610 112Ni D 113 28.7300000 0.0652090 114 7.7260000 0.2805650 115 2.4960000 0.4435020 116 0.9166000 0.3596270 117 0.3105000 0.2053130 118end 119basis "Cu_CRENBS ECP" SPHERICAL 120Cu S 121 2.4490000 0.0102800 122 0.8596000 -0.2002890 123 0.1192000 0.5129440 124 0.0417700 0.6023190 125Cu D 126 31.8400000 0.0627620 127 8.4980000 0.2730120 128 2.6840000 0.4432000 129 0.9108000 0.3713710 130 0.2890000 0.2315260 131end 132basis "Zn_CRENBS ECP" SPHERICAL 133Zn S 134 2.7970000 0.0141080 135 0.9982000 -0.2294910 136 0.1454000 0.6559880 137 0.0462200 0.4843480 138Zn D 139 34.4600000 0.0666220 140 9.3250000 0.2862570 141 2.9760000 0.4579520 142 1.0440000 0.3547360 143 0.3666000 0.1902340 144end 145basis "Y_CRENBS ECP" SPHERICAL 146Y S 147 0.2124000 -0.7819840 148 0.1253000 0.8444100 149 0.0336200 0.8023800 150Y P 151 0.2896000 -0.0899200 152 0.0629000 0.8316760 153 0.0223000 0.2628750 154Y D 155 1.2330000 0.1427370 156 0.5461000 0.3540430 157 0.2102000 0.4742270 158 0.0705000 0.2793230 159end 160basis "Zr_CRENBS ECP" SPHERICAL 161Zr S 162 0.2561000 -0.5300810 163 0.1124000 0.6929200 164 0.0344900 0.7138210 165Zr P 166 0.2972000 -0.0963180 167 0.0724000 0.7547040 168 0.0243000 0.3636480 169Zr D 170 1.6000000 0.0999250 171 0.7756000 0.3536660 172 0.2949000 0.5099200 173 0.0959900 0.2665830 174end 175basis "Nb_CRENBS ECP" SPHERICAL 176Nb S 177 0.2672000 -0.8741150 178 0.1711000 0.9165460 179 0.0438300 0.8263870 180Nb P 181 0.4106000 -0.0643720 182 0.0752000 0.8041560 183 0.0247000 0.2864530 184Nb D 185 1.6130000 0.1075660 186 0.9265000 0.2812860 187 0.3610000 0.5012260 188 0.1121000 0.3518540 189end 190basis "Mo_CRENBS ECP" SPHERICAL 191Mo S 192 0.2847000 -0.9757050 193 0.1889000 1.0596370 194 0.0458200 0.7946600 195Mo P 196 0.4995000 -0.0627160 197 0.0780000 0.7982520 198 0.0247000 0.2930000 199Mo D 200 2.1490000 0.0642120 201 1.0960000 0.3635290 202 0.3823000 0.5358750 203 0.1124000 0.2795270 204end 205basis "Tc_CRENBS ECP" SPHERICAL 206Tc S 207 0.3152000 -0.7338100 208 0.1843000 0.8134940 209 0.0450900 0.8007190 210Tc P 211 0.4767000 -0.0659680 212 0.0895000 0.7173060 213 0.0246000 0.4110920 214Tc D 215 2.6960000 0.0464630 216 1.3300000 0.3993600 217 0.4690000 0.5626650 218 0.1360000 0.2057920 219end 220basis "Ru_CRENBS ECP" SPHERICAL 221Ru S 222 0.3962000 -0.4332570 223 0.1494000 0.6071380 224 0.0436800 0.7137610 225Ru P 226 0.5725000 -0.0528770 227 0.0830000 0.8262160 228 0.0250000 0.2603090 229Ru D 230 2.6570000 0.0548100 231 1.4350000 0.3795280 232 0.4975000 0.5418090 233 0.1405000 0.2637650 234end 235basis "Rh_CRENBS ECP" SPHERICAL 236Rh S 237 0.4291000 -0.4025650 238 0.1571000 0.5377930 239 0.0458900 0.7521570 240Rh P 241 0.6595000 -0.0432900 242 0.0869000 0.8217740 243 0.0257000 0.2630530 244Rh D 245 2.9000000 0.0895940 246 1.4350000 0.3939990 247 0.5340000 0.4980950 248 0.1638000 0.2527390 249end 250basis "Pd_CRENBS ECP" SPHERICAL 251Pd S 252 0.4542000 -0.3704980 253 0.1720000 0.4372990 254 0.0484000 0.8238030 255Pd P 256 0.7368000 -0.0299640 257 0.0899000 0.3514930 258 0.0262000 0.7428430 259Pd D 260 2.3252000 0.2781320 261 1.0020000 0.4375760 262 0.4032000 0.3656230 263 0.1452000 0.1500720 264end 265basis "Ag_CRENBS ECP" SPHERICAL 266Ag S 267 0.4981000 -0.3233220 268 0.1586000 0.4256450 269 0.0471000 0.7926140 270Ag P 271 0.7589000 -0.0285340 272 0.0908000 0.3904450 273 0.0283000 0.7007080 274Ag D 275 2.4127000 0.3088530 276 1.0153000 0.4504340 277 0.4093000 0.3383100 278 0.1503000 0.1294400 279end 280basis "Cd_CRENBS ECP" SPHERICAL 281Cd S 282 0.4922000 -0.4807800 283 0.2273000 0.5723710 284 0.0597000 0.8007460 285Cd P 286 0.8270000 -0.0451170 287 0.1129000 0.5881650 288 0.0405000 0.4978860 289Cd D 290 2.4823000 0.3617190 291 1.0199000 0.4682590 292 0.4190000 0.2913730 293 0.1639000 0.0830130 294end 295basis "La_CRENBS ECP" SPHERICAL 296La S 297 0.2124000 -0.3963000 298 0.1253000 0.1775000 299 0.0336000 1.0713000 300La P 301 0.2236000 -0.1487000 302 0.0627000 0.6086000 303 0.0241000 0.5256000 304La D 305 0.4464000 0.3975000 306 0.1770000 0.4767000 307 0.0736000 0.2639000 308 0.0316000 0.0500000 309end 310basis "Hf_CRENBS ECP" SPHERICAL 311Hf S 312 0.2420000 -1.7254000 313 0.1922000 1.7780000 314 0.0436000 0.8178000 315Hf P 316 0.4389000 -0.1134000 317 0.1045000 0.5943000 318 0.0370100 0.5280000 319Hf D 320 0.8977000 0.3186000 321 0.3516000 0.4465000 322 0.1413000 0.3454000 323 0.0550000 0.1228000 324end 325basis "Ta_CRENBS ECP" SPHERICAL 326Ta S 327 0.2672000 -1.0655000 328 0.1711000 1.2398000 329 0.0426000 0.6983000 330Ta P 331 0.4877000 -0.1058000 332 0.1197000 0.5804000 333 0.0433000 0.5376000 334Ta D 335 0.9321000 0.3692000 336 0.3623000 0.4653000 337 0.1467000 0.2986000 338 0.0590000 0.0821000 339end 340basis "W_CRENBS ECP" SPHERICAL 341W S 342 0.2847000 -1.1881000 343 0.1889000 1.3559000 344 0.0458000 0.6992000 345W P 346 0.5579000 -0.1048000 347 0.1268000 0.6111000 348 0.0441000 0.5089000 349W D 350 1.0081000 0.3921000 351 0.3977000 0.4681000 352 0.1626000 0.2756000 353 0.0663000 0.0675600 354end 355basis "Re_CRENBS ECP" SPHERICAL 356Re S 357 0.3520000 -0.5127000 358 0.1210000 0.9356000 359 0.0407000 0.4396000 360Re P 361 0.5717000 -0.1005000 362 0.1339000 0.6090000 363 0.0460000 0.5125000 364Re D 365 1.0631000 0.4200000 366 0.4131000 0.4798000 367 0.1660000 0.2399000 368 0.0671000 0.0439000 369end 370basis "Os_CRENBS ECP" SPHERICAL 371Os S 372 0.3962000 -0.5282000 373 0.1494000 0.8793000 374 0.0436000 0.5274000 375Os P 376 0.5755000 -0.0954000 377 0.1252000 0.6991000 378 0.0407000 0.4228000 379Os D 380 1.1271000 0.4486000 381 0.4362000 0.4726000 382 0.1727000 0.2329000 383 0.0651000 0.0376000 384end 385basis "Ir_CRENBS ECP" SPHERICAL 386Ir S 387 0.4629000 -0.4599000 388 0.1557000 0.8047000 389 0.0459000 0.5378000 390Ir P 391 0.6320000 -0.8973000 392 0.1433000 0.5790000 393 0.0464000 0.5449000 394Ir D 395 1.2116000 0.4594000 396 0.4720000 0.4666000 397 0.1886000 0.2233000 398 0.0762000 0.0393000 399end 400basis "Pt_CRENBS ECP" SPHERICAL 401Pt S 402 0.4024000 -0.9969000 403 0.2704000 1.0610000 404 0.0612000 0.8117000 405Pt P 406 0.6751000 -0.0427000 407 0.0966000 0.4799000 408 0.0288000 0.6301000 409Pt D 410 1.2792000 0.4614000 411 0.4890000 0.4507000 412 0.1905000 0.2346000 413 0.0747000 0.0500000 414end 415basis "Au_CRENBS ECP" SPHERICAL 416Au S 417 0.4409000 -0.7478000 418 0.2626000 0.8176000 419 0.0617000 0.8113000 420Au P 421 0.6642000 -0.0459000 422 0.1073000 0.3778000 423 0.0319000 0.7233000 424Au D 425 1.3517000 0.4787000 426 0.5149000 0.4582000 427 0.1994000 0.2203000 428 0.0776000 0.0412000 429end 430basis "Hg_CRENBS ECP" SPHERICAL 431Hg S 432 0.5371000 -0.5204000 433 0.2247000 0.7018000 434 0.0649000 0.6951000 435Hg P 436 0.7213000 -0.0713000 437 0.1305000 0.4189000 438 0.0512000 0.6805000 439Hg D 440 1.4418000 -0.5030000 441 0.5560000 0.4605000 442 0.2167000 0.1908000 443 0.0835000 0.0238000 444end 445basis "Tl_CRENBS ECP" SPHERICAL 446Tl S 447 0.5736000 -0.6055000 448 0.2523000 0.8365000 449 0.0779000 0.6334000 450Tl P 451 0.7694000 -0.0681000 452 0.1494000 0.5337000 453 0.0455000 0.5863000 454end 455basis "Pb_CRENBS ECP" SPHERICAL 456Pb S 457 0.5920000 -0.7695000 458 0.3028000 0.9992000 459 0.0922000 0.6278000 460Pb P 461 0.7564000 -0.0950000 462 0.1876000 0.5751000 463 0.0610000 0.5534000 464end 465basis "Bi_CRENBS ECP" SPHERICAL 466Bi S 467 0.7002000 -0.6448000 468 0.3119000 0.8629000 469 0.1103000 0.6281000 470Bi P 471 0.8801000 -0.1183000 472 0.2207000 0.6082000 473 0.0754000 0.5234000 474end 475basis "Po_CRENBS ECP" SPHERICAL 476Po S 477 0.6658000 -0.9719000 478 0.3696000 1.2626000 479 0.1146000 0.5547000 480Po P 481 0.9172000 -0.1378000 482 0.2671000 0.6042000 483 0.0873000 0.5488000 484end 485basis "At_CRENBS ECP" SPHERICAL 486At S 487 0.7185000 -0.8845000 488 0.3553000 1.2676000 489 0.1246000 0.4473000 490At P 491 0.9293000 -0.1505000 492 0.2670000 0.7241000 493 0.0076000 0.4335000 494end 495basis "Rn_CRENBS ECP" SPHERICAL 496Rn S 497 0.7022000 -1.2190000 498 0.4115000 1.6244000 499 0.1340000 0.4245000 500Rn P 501 1.0369000 -0.1715000 502 0.3308000 0.6618000 503 0.1108000 0.5105000 504end 505basis "Rf_CRENBS ECP" SPHERICAL 506Rf S 507 17.2947070 -0.0094684 508 3.0860378 -0.1846579 509 1.7603053 0.8066281 510 0.7093796 0.4047424 511 0.2453532 0.0175019 512 0.0801662 0.0004944 513Rf S 514 17.2947070 0.0042577 515 3.0860378 0.0501892 516 1.7603053 -0.3129865 517 0.7093796 -0.0588430 518 0.2453532 0.5650892 519 0.0801662 0.5788189 520Rf P 521 7.6187816 0.0084469 522 3.4633023 0.0098015 523 1.5783319 0.5173363 524 0.7232524 0.4720575 525 0.3096631 0.1361044 526Rf P 527 7.6187816 -0.0063643 528 3.4633023 -0.0121487 529 1.5783319 -0.1689422 530 0.7232524 -0.1654860 531 0.3096631 0.0440299 532Rf P 533 0.0594585 0.0076593 534 0.0173357 -0.0006208 535Rf P 536 0.0594585 0.9088743 537 0.0173357 0.1350060 538Rf D 539 17.2947070 -0.0017744 540 3.0860378 0.0028623 541 1.7603053 -0.0310379 542 0.7093796 0.3319306 543 0.2453532 0.5355440 544 0.0801662 0.3618838 545Rf F 546 7.6187816 0.2187136 547 3.4633023 0.4494106 548 1.5783319 0.3593007 549 0.7232524 0.1804459 550 0.3096631 0.0538388 551end 552basis "Db_CRENBS ECP" SPHERICAL 553Db S 554 17.2947070 -0.0094684 555 3.0860378 -0.1846579 556 1.7603053 0.8066281 557 0.7093796 0.4047424 558 0.2453532 0.0175019 559 0.0801662 0.0004944 560Db S 561 17.2947070 0.0042577 562 3.0860378 0.0501892 563 1.7603053 -0.3129865 564 0.7093796 -0.0588430 565 0.2453532 0.5650892 566 0.0801662 0.5788189 567Db P 568 7.6187816 0.0084469 569 3.4633023 0.0098015 570 1.5783319 0.5173363 571 0.7232524 0.4720575 572 0.3096631 0.1361044 573Db P 574 7.6187816 -0.0063643 575 3.4633023 -0.0121487 576 1.5783319 -0.1689422 577 0.7232524 -0.1654860 578 0.3096631 0.0440299 579Db P 580 0.0594585 0.0076593 581 0.0173357 -0.0006208 582Db P 583 0.0594585 0.9088743 584 0.0173357 0.1350060 585Db D 586 17.2947070 -0.0017744 587 3.0860378 0.0028623 588 1.7603053 -0.0310379 589 0.7093796 0.3319306 590 0.2453532 0.5355440 591 0.0801662 0.3618838 592Db F 593 7.6187816 0.2187136 594 3.4633023 0.4494106 595 1.5783319 0.3593007 596 0.7232524 0.1804459 597 0.3096631 0.0538388 598end 599basis "Sg_CRENBS ECP" SPHERICAL 600Sg S 601 25.4217990 -0.0072783 602 2.5987626 -0.5952257 603 2.0560785 1.2375087 604 0.7775353 0.3873694 605 0.2905247 0.0129585 606 0.0975429 0.0019599 607Sg S 608 25.4217990 0.0035287 609 2.5987626 0.1809421 610 2.0560785 -0.4797507 611 0.7775353 -0.0491834 612 0.2905247 0.5791945 613 0.0975429 0.5597535 614Sg P 615 8.1803385 -0.0073258 616 3.7089209 0.0325383 617 1.6650488 0.5496780 618 0.7708857 0.4422707 619 0.3359438 0.1132807 620Sg P 621 8.1803385 -0.0015702 622 3.7089209 -0.0224179 623 1.6650488 -0.2035960 624 0.7708857 -0.1597585 625 0.3359438 0.1153716 626Sg P 627 0.0670770 0.0067602 628 0.0175343 -0.0005630 629Sg P 630 0.0670770 0.9042778 631 0.0175343 0.0848274 632Sg D 633 25.4217990 -0.0012225 634 2.5987626 -0.0088082 635 2.0560785 -0.0219554 636 0.7775353 0.3959649 637 0.2905247 0.5345658 638 0.0975429 0.2755108 639Sg F 640 8.1803385 0.2325852 641 3.7089209 0.4789429 642 1.6650488 0.3529889 643 0.7708857 0.1410556 644 0.3359438 0.0331126 645end 646basis "Bh_CRENBS ECP" SPHERICAL 647Bh S 648 23.2879010 -0.0081070 649 2.9548861 -0.4214287 650 2.1450303 1.0516080 651 0.8329362 0.3942674 652 0.3153532 0.0135999 653 0.1067331 0.0022291 654Bh S 655 23.2879010 0.0041663 656 2.9548861 0.1347480 657 2.1450303 -0.4422197 658 0.8329362 -0.0486414 659 0.3153532 0.5776463 660 0.1067331 0.5606683 661Bh P 662 9.0385688 0.0154737 663 4.0558872 0.0042116 664 1.8173171 0.5343428 665 0.8515955 0.4588743 666 0.3726824 0.1246171 667Bh P 668 9.0385688 -0.0087012 669 4.0558872 -0.0137344 670 1.8173171 -0.1985941 671 0.8515955 -0.1634918 672 0.3726824 0.0917953 673Bh P 674 0.0734333 0.0079585 675 0.0206490 -0.0008385 676Bh P 677 0.0734333 0.8918283 678 0.0206490 0.1219603 679Bh D 680 23.2879010 -0.0017316 681 2.9548861 0.0038486 682 2.1450303 -0.0378840 683 0.8329362 0.4176870 684 0.3153532 0.5362151 685 0.1067331 0.2475756 686Bh F 687 9.0385688 0.2089035 688 4.0558872 0.4897858 689 1.8173171 0.3609208 690 0.8515955 0.1399007 691 0.3726824 0.0331984 692end 693basis "Hs_CRENBS ECP" SPHERICAL 694Hs S 695 21.9203490 -0.0088519 696 3.4526239 -0.2775820 697 2.1942232 0.9073770 698 0.8822778 0.3899946 699 0.3368128 0.0130283 700 0.1147642 0.0024868 701Hs S 702 21.9203490 0.0048855 703 3.4526239 0.0891436 704 2.1942232 -0.4098645 705 0.8822778 -0.0393898 706 0.3368128 0.5862175 707 0.1147642 0.5491470 708Hs P 709 9.0496185 0.0107794 710 4.1141947 0.0069355 711 1.8708722 0.5560975 712 0.8714431 0.4473290 713 0.3779315 0.1114880 714Hs P 715 9.0496185 -0.0074263 716 4.1141947 -0.0144968 717 1.8708722 -0.2084999 718 0.8714431 -0.1492658 719 0.3779315 0.1072196 720Hs P 721 0.0769110 0.0059981 722 0.0226494 -0.0003974 723Hs P 724 0.0769110 0.8591336 725 0.0226494 0.1471806 726Hs D 727 21.9203490 -0.0016268 728 3.4526239 -0.0093037 729 2.1942232 -0.0291670 730 0.8822778 0.4335844 731 0.3368128 0.5254827 732 0.1147642 0.2413366 733Hs F 734 9.0496185 0.2283671 735 4.1141947 0.4918683 736 1.8708722 0.3492774 737 0.8714431 0.1289483 738 0.3779315 0.0251598 739end 740basis "Mt_CRENBS ECP" SPHERICAL 741Mt S 742 16.9907230 -0.0123253 743 4.2645591 -0.1776778 744 2.2388334 0.7989371 745 0.9508741 0.3902671 746 0.3635673 0.0177238 747 0.1242963 0.0016935 748Mt S 749 16.9907230 0.0074228 750 4.2645591 0.0592194 751 2.2388334 -0.3964769 752 0.9508741 -0.0297307 753 0.3635673 0.5890365 754 0.1242963 0.5440694 755Mt P 756 9.1139125 0.0063689 757 4.1561459 0.0222246 758 1.8778761 0.5868716 759 0.8651224 0.4228727 760 0.3714973 0.0926932 761Mt P 762 9.1139125 -0.0058669 763 4.1561459 -0.0190875 764 1.8778761 -0.2098840 765 0.8651224 -0.1179213 766 0.3714973 0.1062869 767Mt P 768 0.0783220 0.0038601 769 0.0249269 0.0000341 770Mt P 771 0.0783220 0.7921254 772 0.0249269 0.2217348 773Mt D 774 16.9907230 -0.0018001 775 4.2645591 -0.0103127 776 2.2388334 -0.0399022 777 0.9508741 0.4471858 778 0.3635673 0.5232073 779 0.1242963 0.2348771 780Mt F 781 9.1139125 0.2470154 782 4.1561459 0.5020261 783 1.8778761 0.3385913 784 0.8651224 0.1097074 785 0.3714973 0.0183220 786end 787basis "Uun_CRENBS ECP" SPHERICAL 788Uun S 789 18.5614790 -0.0116504 790 4.2815409 -0.1376744 791 2.2388334 0.7767568 792 1.0755149 0.3533851 793 0.3881528 0.0471294 794 0.1326909 -0.0062906 795Uun S 796 18.5614790 0.0073688 797 4.2815409 0.0366179 798 2.2388334 -0.4041836 799 1.0755149 0.0015523 800 0.3881528 0.5793733 801 0.1326909 0.5456437 802Uun P 803 18.2388140 -0.0076594 804 6.8469230 0.0254525 805 3.7247118 -0.0098324 806 1.8829343 0.6927158 807 0.7479886 0.3866956 808Uun P 809 18.2388140 -0.0013407 810 6.8469230 -0.0179609 811 3.7247118 0.0035300 812 1.8829343 -0.2782637 813 0.7479886 -0.0834892 814Uun P 815 0.1277398 0.0368147 816 0.0386306 -0.0056803 817Uun P 818 0.1277398 0.6995712 819 0.0386306 0.4414086 820Uun D 821 18.5614790 -0.0050254 822 4.2815409 0.0230777 823 2.2388334 -0.1315039 824 1.0755149 0.5239005 825 0.3881528 0.5263976 826 0.1326909 0.2071495 827Uun F 828 18.2388140 0.0724698 829 6.8469230 0.3588522 830 3.7247118 0.3765663 831 1.8829343 0.3183215 832 0.7479886 0.0942456 833end 834basis "Uuu_CRENBS ECP" SPHERICAL 835Uuu S 836 28.9821980 -0.0076983 837 3.1520539 -1.5250903 838 2.7941365 2.1533160 839 1.0430570 0.3872604 840 0.4083108 0.0156980 841 0.1409560 0.0020620 842Uuu S 843 28.9821980 0.0046436 844 3.1520539 0.5940494 845 2.7941365 -0.9485364 846 1.0430570 -0.0287443 847 0.4083108 0.6100351 848 0.1409560 0.5194302 849Uuu P 850 9.9164969 -0.0020078 851 4.5599515 0.0176207 852 2.0820072 0.5856956 853 0.9727928 0.4250254 854 0.4197411 0.0939279 855Uuu P 856 9.9164969 -0.0033004 857 4.5599515 -0.0183517 858 2.0820072 -0.2115921 859 0.9727928 -0.1175264 860 0.4197411 0.1033941 861Uuu P 862 0.0902311 0.0039960 863 0.0290759 0.0000182 864Uuu P 865 0.0902311 0.7751754 866 0.0290759 0.2447750 867Uuu D 868 28.9821980 -0.0014923 869 3.1520539 -0.0096309 870 2.7941365 -0.0370095 871 1.0430570 0.4708011 872 0.4083108 0.5081483 873 0.1409560 0.2166593 874Uuu F 875 9.9164969 0.2443478 876 4.5599515 0.5117339 877 2.0820072 0.3322471 878 0.9727928 0.1003968 879 0.4197411 0.0160408 880end 881basis "Uub_CRENBS ECP" SPHERICAL 882Uub S 883 21.7119070 -0.0117747 884 4.0519063 -0.3501435 885 2.7224689 0.9633368 886 1.1230624 0.3958727 887 0.4401965 0.0183443 888 0.1523479 0.0019877 889Uub S 890 21.7119070 0.0075186 891 4.0519063 0.1300922 892 2.7224689 -0.4931527 893 1.1230624 -0.0259788 894 0.4401965 0.6051899 895 0.1523479 0.5249203 896Uub P 897 9.9055975 0.0083678 898 4.5408196 0.0394776 899 2.0485838 0.6269515 900 0.9323977 0.3864127 901 0.3925141 0.0697300 902Uub P 903 9.9055975 -0.0061138 904 4.5408196 -0.0284981 905 2.0485838 -0.2216032 906 0.9323977 -0.0827334 907 0.3925141 0.1350055 908Uub P 909 0.0903696 0.0012573 910 0.0303724 0.0005968 911Uub P 912 0.0903696 0.7328491 913 0.0303724 0.2548009 914Uub D 915 21.7119070 -0.0018715 916 4.0519063 -0.0118821 917 2.7224689 -0.0473827 918 1.1230624 0.4768381 919 0.4401965 0.5116797 920 0.1523479 0.2124878 921Uub F 922 9.9055975 0.2688755 923 4.5408196 0.5218401 924 2.0485838 0.3159730 925 0.9323977 0.0816303 926 0.3925141 0.0106859 927end 928basis "Uut_CRENBS ECP" SPHERICAL 929Uut S 930 18.0441130 -0.0149534 931 4.1716298 -0.4412975 932 2.9605510 1.0291651 933 1.2231770 0.4162210 934 0.4914624 0.0206770 935 0.1779609 0.0019305 936Uut S 937 18.0441130 0.0104708 938 4.1716298 0.1820409 939 2.9605510 -0.5574745 940 1.2231770 -0.0502859 941 0.4914624 0.6248411 942 0.1779609 0.5092242 943Uut P 944 10.9730000 0.0260541 945 4.9855571 0.0340186 946 2.2437546 0.6376294 947 1.0307168 0.4100723 948 0.4416325 0.0738487 949Uut P 950 10.9730000 0.0057268 951 4.9855571 0.0175298 952 2.2437546 0.1938103 953 1.0307168 0.0951994 954 0.4416325 -0.1269522 955Uut P 956 2.2429884 -0.0493773 957 0.0873824 0.0024441 958 0.0237909 -0.0003154 959Uut P 960 2.2429884 0.0011555 961 0.0873824 -0.6956211 962 0.0237909 -0.3416566 963Uut D 964 18.0441130 -0.0039344 965 4.1716298 0.0222837 966 2.9605510 -0.0905477 967 1.2231770 0.4886564 968 0.4914624 0.5197603 969 0.1779609 0.1874097 970Uut F 971 10.9730000 0.0002356 972 4.9855571 0.2353514 973 2.2437546 0.5345413 974 1.0307168 0.3266730 975 0.4416325 0.0944255 976end 977basis "Uuq_CRENBS ECP" SPHERICAL 978Uuq S 979 39.9757620 -0.0063174 980 4.1097837 -0.2705511 981 2.7224689 0.9564804 982 1.2100945 0.3172862 983 0.4868278 0.0282116 984 0.1817576 -0.0029294 985Uuq S 986 39.9757620 0.0045824 987 4.1097837 0.0708712 988 2.7224689 -0.5267574 989 1.2100945 0.0521564 990 0.4868278 0.6594168 991 0.1817576 0.4294648 992Uuq P 993 11.0616840 0.0205419 994 5.1017154 0.0288886 995 2.3508303 0.6491614 996 1.1103357 0.4088821 997 0.4948663 0.0754787 998Uuq P 999 11.0616840 -0.0047315 1000 5.1017154 -0.0200513 1001 2.3508303 -0.2318639 1002 1.1103357 -0.1173115 1003 0.4948663 0.0833920 1004Uuq P 1005 1.7935886 -0.0589893 1006 0.1433561 0.0033620 1007 0.0512023 0.0001646 1008Uuq P 1009 1.7935886 -0.0131234 1010 0.1433561 0.5712058 1011 0.0512023 0.4781007 1012Uuq D 1013 39.9757620 -0.0013781 1014 4.1097837 -0.0092541 1015 2.7224689 -0.0545975 1016 1.2100945 0.5513093 1017 0.4868278 0.4882353 1018 0.1817576 0.1367065 1019Uuq F 1020 11.0616840 0.2496453 1021 5.1017154 0.5266160 1022 2.3508303 0.3197556 1023 1.1103357 0.0831312 1024 0.4948663 0.0106347 1025end 1026basis "Uup_CRENBS ECP" SPHERICAL 1027Uup S 1028 36.4438300 -0.0072536 1029 4.3686812 -0.3159259 1030 2.9362844 0.9846712 1031 1.2906059 0.3332858 1032 0.5328963 0.0232578 1033 0.2012507 -0.0016368 1034Uup S 1035 36.4438300 0.0055731 1036 4.3686812 0.1032190 1037 2.9362844 -0.5688409 1038 1.2906059 0.0451151 1039 0.5328963 0.6678157 1040 0.2012507 0.4239077 1041Uup P 1042 17.3247370 -0.0055768 1043 7.4743802 0.0386083 1044 4.2628352 -0.0305519 1045 2.4147049 0.6843563 1046 1.0384794 0.3960650 1047Uup P 1048 17.3247370 0.0028949 1049 7.4743802 -0.0158459 1050 4.2628352 -0.0046763 1051 2.4147049 -0.3135246 1052 1.0384794 -0.0993365 1053Uup P 1054 4.6364816 -0.0054445 1055 0.1597537 0.0332072 1056 0.0468109 -0.0080145 1057Uup P 1058 4.6364816 -0.0127743 1059 0.1597537 0.8768418 1060 0.0468109 0.2406001 1061Uup D 1062 36.4438300 -0.0014468 1063 4.3686812 -0.0164593 1064 2.9362844 -0.0547179 1065 1.2906059 0.5579176 1066 0.5328963 0.4853572 1067 0.2012507 0.1273314 1068Uup F 1069 17.3247370 0.0906138 1070 7.4743802 0.4127940 1071 4.2628352 0.3152939 1072 2.4147049 0.2888529 1073 1.0384794 0.0826323 1074end 1075basis "Uuh_CRENBS ECP" SPHERICAL 1076Uuh S 1077 13.1511810 -0.0199376 1078 5.2514419 -0.2048551 1079 3.1100370 0.8109171 1080 1.5109247 0.3852593 1081 0.6164518 0.0391145 1082 0.2333849 -0.0035421 1083Uuh S 1084 13.1511810 0.0211636 1085 5.2514419 0.0561259 1086 3.1100370 -0.5182894 1087 1.5109247 -0.0188690 1088 0.6164518 0.6663561 1089 0.2333849 0.4597625 1090Uuh P 1091 30.5204540 -0.0096676 1092 8.7320871 0.0534175 1093 4.7704078 -0.0319697 1094 2.4780453 0.6929553 1095 0.0523035 -0.0058491 1096Uuh P 1097 30.5204540 0.2378591 1098 8.7320871 0.0044069 1099 4.7704078 -0.0220658 1100 2.4780453 -0.0217457 1101 0.0523035 0.8826613 1102Uuh P 1103 7.6428803 0.0039528 1104 0.1813751 0.0285263 1105Uuh P 1106 7.6428803 0.3771878 1107 0.1813751 -0.0111824 1108Uuh D 1109 13.1511810 -0.3402583 1110 5.2514419 -0.0850615 1111 3.1100370 -0.0207079 1112 1.5109247 0.0819218 1113 0.6164518 -0.1957913 1114 0.2333849 0.5714190 1115Uuh F 1116 30.5204540 0.1358131 1117 8.7320871 0.0827166 1118 4.7704078 0.3650974 1119 2.4780453 0.4017765 1120 0.0523035 0.5220167 1121end 1122basis "Uus_CRENBS ECP" SPHERICAL 1123Uus S 1124 22.4731400 -0.0101151 1125 7.1088634 -0.1153737 1126 2.9362844 0.8073178 1127 1.4785317 0.2859659 1128 0.6049914 0.0385157 1129 0.2390290 -0.0066453 1130Uus S 1131 22.4731400 0.0105213 1132 7.1088634 0.0405580 1133 2.9362844 -0.5946812 1134 1.4785317 0.1434622 1135 0.6049914 0.6630447 1136 0.2390290 0.3973327 1137Uus P 1138 23.4594860 -0.0124442 1139 9.2513080 0.0909913 1140 5.5849091 -0.1109226 1141 2.8239680 0.6679633 1142 1.2453231 0.4355963 1143Uus P 1144 23.4594860 0.0050168 1145 9.2513080 -0.0364324 1146 5.5849091 0.0203243 1147 2.8239680 -0.3616582 1148 1.2453231 -0.1397700 1149Uus P 1150 5.6847500 0.0000108 1151 0.2191043 0.0401292 1152 0.0649429 -0.0064428 1153Uus P 1154 5.6847500 -0.0153859 1155 0.2191043 0.8547123 1156 0.0649429 0.2939070 1157Uus D 1158 22.4731400 -0.0046980 1159 7.1088634 0.0091572 1160 2.9362844 -0.1207304 1161 1.4785317 0.6207979 1162 0.6049914 0.4774583 1163 0.2390290 0.1025891 1164Uus F 1165 23.4594860 0.0732167 1166 9.2513080 0.2863169 1167 5.5849091 0.4068732 1168 2.8239680 0.3362860 1169 1.2453231 0.0862475 1170end 1171ASSOCIATED_ECP "crenbs_ecp" 1172# ELEMENTS REFERENCES 1173# --------- ---------- 1174# 1175 1176# CRENBS ECP EMSL Basis Set Exchange Library 3/15/13 10:19 AM 1177# ELEMENTS REFERENCES 1178# --------- ---------- 1179# 1180 1181 1182ecp "Sc_CRENBS ECP" 1183Sc nelec 18 1184Sc ul 11852 0.29840001 -0.27631900 11862 0.97359997 -2.71528506 11872 3.00230002 -10.29641724 11882 12.39669991 -36.81774139 11891 47.46879959 -13.80766487 1190Sc S 11912 0.18490000 0.03074700 11922 1.01020002 98.84182739 11932 1.17219996 -176.84428406 11942 1.40620005 99.04251862 11951 4.10559988 8.55434704 11960 5.19129992 3.60357404 1197Sc P 11982 0.74400002 52.92183685 11992 0.93519998 -114.06956482 12002 1.25870001 111.66765594 12012 1.63880003 -52.40676498 12021 2.00399995 5.54833794 12030 1.07050002 5.54230881 1204end 1205ecp "Ti_CRENBS ECP" 1206Ti nelec 18 1207Ti ul 12082 0.33790001 -0.30006000 12092 1.11440003 -2.86175990 12102 3.42820001 -10.93051720 12112 13.60970020 -36.18664169 12121 45.69940186 -12.74508858 1213Ti S 12142 0.21480000 0.03480600 12152 0.99339998 21.71248817 12162 1.17780006 -39.98028564 12172 1.81480002 1.93583095 12181 0.93210000 24.44411659 12190 10.55080032 3.18623209 1220Ti P 12212 0.76319998 21.59829712 12222 1.06750000 -72.59468079 12232 1.40939999 79.00105286 12242 1.81729996 -38.15525436 12251 0.79560000 7.75176477 12260 0.58350003 5.45599794 1227end 1228ecp "V_CRENBS ECP" 1229V nelec 18 1230V ul 12312 0.37729999 -0.31635800 12322 1.23520005 -2.86627412 12332 3.70639992 -10.88373375 12342 13.44499969 -30.68353462 12351 37.79880142 -11.54613400 1236V S 12372 0.24120000 0.04627600 12382 1.31369996 116.58562469 12392 1.55100000 -206.26571655 12402 1.89559996 116.92503357 12411 7.14799976 17.72877121 12420 20.98839951 2.97051811 1243V P 12442 0.20580000 0.02383400 12452 0.94440001 85.66498566 12462 1.10290003 -168.82945251 12472 1.31379998 101.25710297 12481 3.75839996 6.58652687 12490 3.91380000 5.59004593 1250end 1251ecp "Cr_CRENBS ECP" 1252Cr nelec 18 1253Cr ul 12542 0.33739999 -0.18984801 12552 1.10440004 -2.21707392 12562 3.44440007 -10.17161274 12572 13.09500027 -31.33251953 12581 41.70100021 -12.17855644 1259Cr S 12602 0.60399997 20.50030136 12612 0.70929998 -65.95387268 12622 0.90420002 115.60340881 12632 1.09179997 -68.62667847 12641 1.73950005 13.32377911 12650 8.37220001 3.15280890 1266Cr P 12672 0.17560001 0.01963400 12682 1.02059996 96.54696655 12692 1.19340003 -186.33720398 12702 1.44360006 109.43738556 12711 4.16370010 7.51034021 12720 4.56899977 5.51086378 1273end 1274ecp "Mn_CRENBS ECP" 1275Mn nelec 18 1276Mn ul 12772 0.45190001 -0.32237199 12782 1.38629997 -2.42131090 12792 3.74930000 -9.07335377 12802 11.57509995 -23.51095963 12811 33.64369965 -11.55800056 1282Mn S 12832 0.74610001 50.56281281 12842 0.83649999 -139.92572021 12852 1.00870001 187.17520142 12862 1.19529998 -96.70987701 12871 1.95889997 18.29615593 12880 8.92039967 3.13673401 1289Mn P 12902 1.09370005 35.46660995 12912 1.48570001 -103.00804138 12922 1.97080004 106.40811157 12932 2.59910011 -43.28920364 12941 1.04449999 10.65728283 12950 3.00909996 5.33598995 1296end 1297ecp "Fe_CRENBS ECP" 1298Fe nelec 18 1299Fe ul 13002 0.49520001 -0.33538201 13012 1.50390005 -2.39878988 13022 3.96690011 -8.88721943 13032 11.90670013 -23.24546051 13041 34.95520020 -11.52505875 1305Fe S 13062 0.81730002 53.32651138 13072 0.91530001 -144.99348450 13082 1.10710001 193.69319153 13092 1.31669998 -101.95478058 13101 2.08579993 20.21462250 13110 8.91240025 3.22412705 1312Fe P 13132 0.22290000 0.02352700 13142 1.29540002 92.19576263 13152 1.55760002 -187.78385925 13162 1.89040005 121.00855255 13171 4.91750002 12.36842060 13180 7.78889990 5.20341396 1319end 1320ecp "Co_CRENBS ECP" 1321Co nelec 18 1322Co ul 13232 0.53230000 -0.32827699 13242 1.53649998 -2.07979298 13252 3.87420011 -7.91124582 13262 10.96930027 -20.62563133 13271 32.24440002 -11.21210480 1328Co S 13292 0.86699998 41.98735046 13302 0.98699999 -118.17536163 13312 1.22259998 165.50724792 13322 1.48570001 -86.30142975 13331 2.06960011 6.80684519 13340 1.47860003 3.70646691 1335Co P 13362 0.24690001 0.02688800 13372 1.40540004 97.55522156 13382 1.66750002 -178.49310303 13392 2.07929993 108.75386047 13401 5.26149988 12.92386913 13410 8.09350014 5.22732306 1342end 1343ecp "Ni_CRENBS ECP" 1344Ni nelec 18 1345Ni ul 13462 0.60470003 -0.39820799 13472 1.93700004 -3.11549497 13482 5.49459982 -11.88599491 13492 18.08950043 -32.50999451 13501 53.18939972 -11.93502808 1351Ni S 13522 0.93790001 43.79937744 13532 1.06649995 -122.48828125 13542 1.32009995 170.38290405 13552 1.60450006 -88.12361908 13561 2.26979995 8.00157547 13570 1.70940006 3.67468309 1358Ni P 13592 0.26530001 0.02744700 13602 1.50919998 94.02155304 13612 1.81280005 -187.11549377 13622 2.21199989 122.75196838 13631 5.48559999 12.05337429 13640 7.51889992 5.36371279 1365end 1366ecp "Cu_CRENBS ECP" 1367Cu nelec 18 1368Cu ul 13692 0.47510001 -0.17287099 13702 1.42369997 -1.67033803 13712 4.03959990 -8.22487736 13722 12.44390011 -23.39514351 13731 38.74039841 -11.42614460 1374Cu S 13752 0.81150001 6.22903204 13762 1.10739994 -48.31729889 13772 1.38030005 113.06871033 13782 1.65380001 -65.06185150 13791 2.90939999 19.98191833 13800 10.47480011 3.21701002 1381Cu P 13822 0.73470002 35.69552994 13832 0.83590001 -103.46006775 13842 1.03230000 151.97230530 13852 1.25300002 -87.70287323 13861 2.32179999 20.80924225 13870 9.20419979 4.79295111 1388end 1389ecp "Zn_CRENBS ECP" 1390Zn nelec 18 1391Zn ul 13922 0.70620000 -0.42563301 13932 2.26999998 -3.32303691 13942 6.47790003 -12.90146923 13952 21.37000084 -35.57994080 13961 63.25559998 -12.05187607 1397Zn S 13982 1.13189995 54.52636337 13992 1.28470004 -151.99613953 14002 1.58990002 214.51309204 14012 1.93540001 -113.67844391 14021 3.16650009 20.79129219 14030 15.25699997 3.02661109 1404Zn P 14052 0.84560001 37.36040115 14062 0.96240002 -108.31131744 14072 1.19850004 166.68620300 14082 1.46300006 -102.95578766 14091 2.19120002 9.70077801 14100 1.61720002 5.59525824 1411end 1412ecp "Ga_CRENBS ECP" 1413Ga nelec 28 1414Ga ul 14152 0.58810002 -0.31997699 14162 1.64069998 -4.77094412 14172 4.35500002 -21.72740936 14182 13.11660004 -48.09794617 14191 40.74399948 -18.71361923 1420Ga S 14212 0.32080001 -0.04252400 14222 2.62019992 127.49067688 14232 3.14129996 -239.20565796 14242 3.90050006 113.47185516 14251 2.48850012 25.32897758 14260 13.40340042 3.34978294 1427Ga P 14282 1.33659995 -33.18523026 14292 1.59780002 112.45940399 14302 2.09870005 -136.70147705 14312 2.69939995 82.93535614 14321 4.32819986 11.97297001 14330 8.21179962 5.43034220 1434Ga D 14352 0.75919998 52.29948044 14362 0.85619998 -124.25196075 14372 1.03149998 130.49296570 14382 1.23189998 -60.30693436 14391 1.92229998 14.73506737 14400 5.15759993 3.48866892 1441end 1442ecp "Ge_CRENBS ECP" 1443Ge nelec 28 1444Ge ul 14452 0.76770002 -0.39433101 14462 2.08400011 -5.83844185 14472 5.43009996 -25.13511467 14482 16.53289986 -54.32553864 14491 50.32899857 -19.00503540 1450Ge S 14512 1.88360000 -37.25209808 14522 2.33509994 118.11148071 14532 3.18639994 -155.07708740 14542 4.27190018 84.98030090 14551 2.03590012 19.08836174 14560 12.92920017 3.26781797 1457Ge P 14582 1.64499998 -53.61141586 14592 1.94190001 175.17221069 14602 2.55999994 -215.37574768 14612 3.38720012 139.20930481 14621 8.41679955 10.59557438 14630 9.80710030 5.45701981 1464Ge D 14652 0.89980000 64.17147827 14662 1.03450000 -161.12652588 14672 1.29949999 186.05442810 14682 1.60959995 -92.98798370 14691 2.24580002 10.20061874 14700 1.72259998 7.64065409 1471end 1472ecp "As_CRENBS ECP" 1473As nelec 28 1474As ul 14752 0.95889997 -0.47301701 14762 2.54180002 -6.78531218 14772 6.51340008 -28.13338470 14782 20.03310013 -60.48198318 14791 60.18700027 -19.24400139 1480As S 14812 2.15759993 -49.06882477 14822 2.60940003 175.88935852 14832 3.52379990 -200.33164978 14842 4.82019997 150.99176025 14851 13.87059975 32.85216522 14860 35.67649841 3.33910704 1487As P 14882 1.91849995 -67.20799255 14892 2.26699996 220.36286926 14902 3.01290011 -270.24691772 14912 4.04390001 173.09527588 14921 11.33640003 10.38825893 14930 11.37460041 5.42948580 1494As D 14952 0.83710003 -38.58349609 14962 0.95050001 117.56778717 14972 1.18009996 -167.23640442 14982 1.45420003 106.39934540 14991 4.54440022 9.16124630 15000 4.15719986 7.60950804 1501end 1502ecp "Se_CRENBS ECP" 1503Se nelec 28 1504Se ul 15052 1.16499996 -0.56005198 15062 3.01929998 -7.65443420 15072 7.63630009 -30.98643684 15082 23.73880005 -66.83941650 15091 70.74770355 -19.46455193 1510Se S 15112 2.53090000 -77.68022156 15122 3.01629996 259.82275391 15132 4.05240011 -286.50949097 15142 5.49609995 186.87695312 15151 15.21469975 14.90122414 15160 19.29070091 3.38540697 1517Se P 15182 2.15229988 -72.91712952 15192 2.56660008 242.85282898 15202 3.46510005 -298.23440552 15212 4.66650009 156.36512756 15221 3.89229989 14.57987499 15230 13.97830009 5.28850412 1524Se D 15252 1.05879998 -42.69830322 15262 1.21389997 130.75805664 15272 1.54170001 -186.89411926 15282 1.95029998 124.37104034 15291 6.03049994 9.39329243 15300 5.36899996 7.53038120 1531end 1532ecp "Br_CRENBS ECP" 1533Br nelec 28 1534Br ul 15352 1.40190005 -0.68962199 15362 3.60200000 -8.90329838 15372 8.96700001 -33.98540115 15382 28.13520050 -74.11759949 15391 83.31790161 -19.70253181 1540Br S 15412 1.84599996 39.55452728 15422 2.11680007 -127.32706451 15432 2.70390010 226.22470093 15442 3.45140004 -137.27772522 15451 5.18030024 34.87834167 15460 23.03450012 3.16349602 1547Br P 15482 2.37649989 -72.41403961 15492 2.81999993 241.87600708 15502 3.79500008 -289.87268066 15512 5.20599985 193.86175537 15521 14.69699955 11.54785538 15530 14.28919983 5.40144587 1554Br D 15552 1.22160006 -42.92155075 15562 1.40610003 132.84269714 15572 1.79670000 -190.21408081 15582 2.29929996 130.49337769 15591 6.96869993 9.65886593 15600 6.20130014 7.50312090 1561end 1562ecp "Kr_CRENBS ECP" 1563Kr nelec 28 1564Kr ul 15652 1.67750001 -0.86767399 15662 4.24550009 -10.16866589 15672 10.41329956 -37.04783249 15682 33.01910019 -82.02886200 15691 97.54010010 -19.95263863 1570Kr S 15712 3.00869989 -81.18605804 15722 3.61669993 277.68466187 15732 4.93909979 -298.01232910 15742 6.67579985 143.60226440 15751 5.24849987 17.64846992 15760 22.39509964 3.33663988 1577Kr P 15782 2.64689994 -76.90982819 15792 3.18650007 267.18951416 15802 4.39919996 -323.51928711 15812 6.25869989 220.48004150 15821 19.34729958 11.69451904 15830 17.34690094 5.33118105 1584Kr D 15852 1.52230000 -48.58622360 15862 1.78359997 156.37809753 15872 2.35010004 -225.40956116 15882 3.13680005 161.85220337 15891 9.78509998 10.13744545 15900 8.54969978 7.39999199 1591end 1592ecp "Y_CRENBS ECP" 1593Y nelec 36 1594Y ul 15952 0.40310001 -0.38814399 15962 0.95459998 -3.85477591 15972 2.47849989 -9.36550999 15982 7.70930004 -39.12420654 15992 23.46579933 -93.54985046 16001 73.73259735 -25.21870422 1601Y S 16022 0.52429998 -27.56872368 16032 0.61140001 80.27277374 16042 0.80330002 -101.27806091 16052 0.99680001 67.88915253 16062 3.88000011 37.90885544 16071 8.83150005 34.85948563 16080 22.29000092 3.96560407 1609Y P 16102 0.68919998 127.96752930 16112 0.81430000 -265.12304688 16122 1.08150005 258.52642822 16132 1.51940000 -181.08963013 16142 2.09270000 94.94129181 16151 6.04059982 16.67901993 16160 7.35090017 5.70845318 1617Y D 16182 0.23090000 -0.18540600 16192 1.29820001 22.32200432 16202 1.51409996 -70.94950867 16212 1.99890006 131.66903687 16222 2.56730008 -108.04507446 16231 4.38630009 11.55035400 16240 1.97099996 7.16109085 1625end 1626ecp "Zr_CRENBS ECP" 1627Zr nelec 36 1628Zr ul 16292 0.50849998 -0.65333903 16302 1.25989997 -5.42695379 16312 3.85929990 -15.36555386 16322 12.27550030 -64.25210571 16331 38.51760101 -23.12731552 1634Zr S 16352 0.67790002 -60.99807739 16362 0.79229999 189.74023438 16372 1.04059994 -245.02844238 16382 1.44630003 219.89311218 16392 1.96200001 -110.71615601 16401 2.62660003 24.82860374 16410 10.83559990 3.39029098 1642Zr P 16432 0.78560001 139.57833862 16442 0.93400002 -287.81640625 16452 1.24940002 279.62557983 16462 1.77209997 -194.22854614 16472 2.47129989 104.41959381 16481 7.06279993 16.83250046 16490 8.15489960 5.69084311 1650Zr D 16512 0.09670000 0.00048200 16522 0.24150001 -0.17614000 16532 2.06349993 -43.04225159 16542 2.50259995 130.94032288 16552 3.20359993 -109.38676453 16561 5.27120018 13.35779476 16570 3.53810000 6.97829580 1658end 1659ecp "Nb_CRENBS ECP" 1660Nb nelec 36 1661Nb ul 16622 0.65390003 -1.18631494 16632 1.74010003 -7.80844688 16642 6.60360003 -31.78058052 16652 22.66510010 -104.86203003 16661 86.96939850 -27.51132584 1667Nb S 16682 0.73820001 -62.14817429 16692 0.85650003 190.85089111 16702 1.11399996 -243.21609497 16712 1.53129995 221.00381470 16722 2.06570005 -114.93121338 16731 2.50189996 28.06257629 16740 10.75329971 3.42669392 1675Nb P 16762 0.88760000 151.04595947 16772 1.06459999 -307.14862061 16782 1.44579995 293.11035156 16792 2.08999991 -199.33251953 16802 2.99850011 112.10955811 16811 8.67920017 16.48614311 16820 8.90999985 5.68367910 1683Nb D 16842 0.64829999 0.23683000 16852 0.28490001 -0.23673899 16862 1.36430001 21.64477730 16872 1.46120000 -54.17031479 16882 1.66880000 41.12133026 16891 7.64370012 11.94430923 16900 6.68480015 7.14471006 1691end 1692ecp "Mo_CRENBS ECP" 1693Mo nelec 36 1694Mo ul 16952 0.67839998 -0.97851598 16962 1.73590004 -7.12729788 16972 5.99490023 -24.65216255 16982 19.34300041 -89.41860199 16991 66.90019989 -25.30689621 1700Mo S 17012 0.83120000 -67.00737000 17022 0.97170001 212.17037964 17032 1.28129995 -271.79238892 17042 1.79719996 243.67256165 17052 2.47049999 -122.49226379 17061 3.40219998 27.53581619 17070 14.03419971 3.30936599 1708Mo P 17092 0.66720003 -47.97874451 17102 0.76480001 172.93215942 17112 0.94209999 -230.60501099 17122 1.16559994 133.04591370 17132 2.48569989 -23.99546814 17141 2.93589997 25.51008034 17150 9.79469967 5.34964418 1716Mo D 17172 0.08900000 -0.00025400 17182 0.31630000 -0.25356400 17192 2.15129995 -49.08042908 17202 2.93219996 143.46177673 17212 3.74819994 -139.96762085 17221 5.98320007 13.82697392 17230 1.19649994 6.99066401 1724end 1725ecp "Tc_CRENBS ECP" 1726Tc nelec 36 1727Tc ul 17282 0.70050001 -0.79472297 17292 1.72379994 -6.37796688 17302 5.29659987 -18.39558029 17312 16.52239990 -75.56327820 17321 52.40219879 -23.71250725 1733Tc S 17342 0.89370000 -65.76921082 17352 1.04149997 210.01269531 17362 1.36290002 -267.63656616 17372 1.89919996 243.09695435 17382 2.60130000 -123.48133850 17391 3.41840005 29.38408089 17400 13.77740002 3.36798000 1741Tc P 17422 0.76109999 -62.08471680 17432 0.87000000 202.83374023 17442 1.11259997 -269.54275513 17452 1.52359998 247.41317749 17462 1.97570002 -117.69210052 17471 2.91269994 25.42036819 17480 10.04749966 5.31698513 1749Tc D 17502 0.28979999 -0.14150600 17512 0.90539998 -7.07095194 17522 1.20210004 38.74472809 17532 1.52540004 -74.01949310 17542 1.98080003 56.81457138 17551 11.47700024 16.01659393 17560 10.15670013 6.78246212 1757end 1758ecp "Ru_CRENBS ECP" 1759Ru nelec 36 1760Ru ul 17612 0.76889998 -0.84380198 17622 1.88810003 -6.69124413 17632 5.83479977 -19.53392792 17642 18.12579918 -79.45478821 17651 57.63710022 -23.90557671 1766Ru S 17672 0.99110001 -71.56522369 17682 1.14160001 228.00354004 17692 1.46480000 -284.92181396 17702 1.99300003 254.73445129 17712 2.64910007 -129.97424316 17721 3.19720006 27.73659134 17730 12.94449997 3.39043093 1774Ru P 17752 0.79670000 -29.94395828 17762 0.92159998 113.42784882 17772 1.20869994 -152.27215576 17782 1.71340001 142.09107971 17792 2.42820001 -67.73392487 17801 3.44860005 27.24661064 17810 11.52260017 5.29189920 1782Ru D 17832 0.23970000 -0.01948400 17842 0.42269999 -0.35189101 17852 1.51569998 20.84566689 17862 1.81130004 -59.39392853 17872 2.25309992 53.66986465 17881 11.23980045 14.55651188 17890 9.81809998 6.93632078 1790end 1791ecp "Rh_CRENBS ECP" 1792Rh nelec 36 1793Rh ul 17942 0.84579998 -0.92449600 17952 2.08389997 -7.14187098 17962 6.52729988 -21.23577690 17972 20.22669983 -85.08799744 17981 64.99040222 -24.24301338 1799Rh S 18002 1.06579995 -77.58691406 18012 1.21669996 240.80317688 18022 1.53530002 -278.74105835 18032 2.08360004 215.33572388 18042 2.96230006 -114.76507568 18051 3.09660006 36.79577255 18060 15.23849964 3.33553004 1807Rh P 18082 0.89630002 -59.61508942 18092 1.03649998 208.17607117 18102 1.34590006 -285.84307861 18112 1.86530006 259.17666626 18122 2.50020003 -118.67604828 18131 3.80550003 28.71784782 18140 13.41059971 5.17818499 1815Rh D 18162 0.48629999 -0.35453799 18172 0.26460001 -0.03887800 18182 2.98650002 -83.94521332 18192 3.98250008 205.58543396 18202 5.47550011 -192.86888123 18211 8.45230007 18.63974380 18220 1.47650003 6.65249395 1823end 1824ecp "Pd_CRENBS ECP" 1825Pd nelec 36 1826Pd ul 18272 0.98809999 -1.46114802 18282 2.62940001 -9.50723076 18292 10.25819969 -41.77036667 18301 29.55920029 -21.68132210 1831Pd S 18322 1.56780005 170.32637024 18332 1.89289999 -308.21520996 18342 2.56369996 278.71969604 18352 3.51640010 -136.46862793 18361 4.76160002 32.85005951 18370 18.32069969 3.32001805 1838Pd P 18392 1.10739994 104.99304199 18402 1.34440005 -201.67398071 18412 1.82319999 191.11369324 18422 2.47819996 -89.62584686 18431 3.49810004 28.29756546 18440 12.45730019 5.31397009 1845Pd D 18462 0.25200000 -0.06195100 18472 0.69040000 -1.10503602 18482 1.75610006 -16.16929626 18492 2.83060002 17.75333786 18501 1.04600000 6.82440615 18510 10.49960041 7.95571184 1852end 1853ecp "Ag_CRENBS ECP" 1854Ag nelec 36 1855Ag ul 18562 1.07079995 -1.54570901 18572 2.85200000 -9.91327572 18582 11.17080021 -44.19367218 18591 32.34180069 -21.82627869 1860Ag S 18612 1.65400004 171.23280334 18622 1.99160004 -307.32479858 18632 2.69039989 280.42736816 18642 3.73289990 -153.77388000 18651 4.36100006 40.92211151 18660 18.48649979 3.48360991 1867Ag P 18682 1.21969998 123.84740448 18692 1.48839998 -238.36637878 18702 2.04329991 222.44552612 18712 2.82279992 -103.42056274 18721 4.09789991 30.84042740 18730 15.14739990 5.18727016 1874Ag D 18752 0.29390001 -0.09446900 18762 0.92500001 -3.48698401 18772 2.09789991 -38.78794098 18782 2.52940011 34.73471451 18791 1.06369996 9.89155388 18800 10.93939972 7.72656393 1881end 1882ecp "Cd_CRENBS ECP" 1883Cd nelec 36 1884Cd ul 18852 1.20790005 -1.77006102 18862 3.17670012 -10.56859684 18872 12.61629963 -49.03567505 18881 36.90489960 -22.09135056 1889Cd S 18902 0.80620003 31.95877838 18912 0.93199998 -104.65022278 18922 1.18079996 173.25119019 18932 1.52180004 -104.91418457 18941 2.08349991 23.64106560 18950 11.30650043 3.90806794 1896Cd P 18972 0.94749999 -41.68565369 18982 1.10239995 145.67808533 18992 1.44000006 -189.84249878 19002 1.90450001 125.71853638 19011 7.30249977 31.13378716 19020 19.80590057 5.27771378 1903Cd D 19042 0.54339999 -0.52976000 19052 1.57570004 -5.00963783 19062 1.82249999 -15.28431988 19072 2.54139996 6.59910011 19081 1.30009997 11.88312626 19090 10.56420040 7.84789896 1910end 1911ecp "In_CRENBS ECP" 1912In nelec 46 1913In ul 19142 0.48310000 -0.72688198 19152 1.38779998 -8.87944508 19162 4.24930000 -28.64141846 19171 14.54640007 -26.09017944 1918In S 19192 1.17709994 -78.99516296 19202 1.49100006 189.93367004 19212 2.07049990 -230.70478821 19222 2.76320004 110.66744232 19231 0.94290000 25.01591873 19240 9.89550018 6.53181505 1925In P 19262 0.83969998 -32.31548309 19272 1.12240005 90.10050964 19282 1.47479999 -141.17686462 19292 1.84430003 70.22063446 19301 0.73490000 23.87194824 19310 7.66809988 5.74708223 1932In D 19332 0.55820000 32.53954697 19342 0.83679998 183.68971252 19352 0.69180000 -126.96817017 19362 1.02670002 -96.80153656 19371 1.39779997 28.43336105 19380 7.36810017 7.41625786 1939end 1940ecp "Sn_CRENBS ECP" 1941Sn nelec 46 1942Sn ul 19432 0.53570002 -0.61962098 19442 1.48629999 -8.51832294 19452 4.42899990 -28.98141479 19461 15.07159996 -25.91174507 1947Sn S 19482 1.09720004 -68.40512085 19492 1.20749998 61.20298386 19502 2.44540000 -115.91490173 19512 2.66199994 90.71030426 19521 0.98559999 38.39368057 19530 10.45960045 3.96024489 1954Sn P 19552 1.13039994 -55.92941666 19562 1.33599997 186.40661621 19572 1.76460004 -229.09414673 19582 2.32399988 140.80532837 19591 8.20750046 31.17912292 19600 20.84210014 5.24522209 1961Sn D 19622 0.72770000 69.81809235 19632 0.84500003 -155.64361572 19642 1.07659996 163.22590637 19652 1.36080003 -76.25168610 19661 2.12010002 28.03673935 19670 8.50059986 7.46547985 1968end 1969ecp "Sb_CRENBS ECP" 1970Sb nelec 46 1971Sb ul 19722 0.71869999 -1.16371298 19732 1.99689996 -12.07214355 19742 6.19420004 -36.83171082 19751 20.14170074 -27.21713066 1976Sb S 19772 1.53859997 -71.66858673 19782 1.86319995 218.25843811 19792 2.56320000 -279.21878052 19802 3.47930002 133.40724182 19811 1.65509999 25.57469368 19820 12.01700020 6.57595015 1983Sb P 19842 1.07589996 -89.66691589 19852 1.33440006 196.55340576 19862 1.79240000 -224.12013245 19872 2.29830003 102.89838409 19881 0.82489997 25.75704575 19890 9.33139992 5.66694307 1990Sb D 19912 0.92949998 105.84054565 19922 1.08389997 -230.24697876 19932 1.38950002 227.46810913 19942 1.79369998 -101.50444031 19951 2.75929999 31.99645233 19960 11.14229965 7.23814011 1997end 1998ecp "Te_CRENBS ECP" 1999Te nelec 46 2000Te ul 20012 0.82090002 -1.30625105 20022 2.27710009 -13.14989090 20032 7.04320002 -40.10269165 20041 22.57600021 -27.49959755 2005Te S 20062 1.36290002 -91.62097931 20072 1.73319995 162.43962097 20082 2.31949997 -181.71922302 20092 2.94880009 68.60900116 20101 1.13360000 45.23602295 20110 13.36170006 5.37304401 2012Te P 20132 1.16820002 -97.46990967 20142 1.44430006 207.04981995 20152 1.92990005 -229.59625244 20162 2.46140003 104.75685883 20171 0.89539999 27.73989868 20180 9.88430023 5.61145115 2019Te D 20202 0.75599998 -42.43028259 20212 0.86040002 134.78205872 20222 1.07579994 -182.12715149 20232 1.34309995 114.74744415 20241 4.54879999 30.36738014 20250 13.15170002 7.36191702 2026end 2027ecp "I_CRENBS ECP" 2028I nelec 46 2029I ul 20302 0.92250001 -1.44700503 20312 2.56909990 -14.18883228 20322 7.90859985 -43.26330566 20331 25.06110001 -27.74085617 2034I S 20352 1.50360000 -124.03754425 20362 1.87460005 235.54545593 20372 2.68280005 -261.47537231 20382 3.44659996 144.18431091 20391 1.12419999 31.00326920 20400 11.45829964 6.51237297 2041I P 20422 1.24539995 -95.36879730 20432 1.58260000 188.96330261 20442 2.24289989 -221.15356445 20452 2.93009996 104.68045044 20461 0.95029998 30.80925179 20470 12.78199959 5.41463995 2048I D 20492 0.66850001 -50.34055328 20502 0.82800001 102.27642822 20512 1.11570001 -133.29681396 20522 1.41900003 75.01081848 20531 0.50300002 19.15017128 20540 4.55760002 8.09995937 2055end 2056ecp "Xe_CRENBS ECP" 2057Xe nelec 46 2058Xe ul 20592 1.01709998 -1.55970502 20602 2.86500001 -15.16583157 20612 8.77820015 -46.30687714 20621 27.58219910 -27.95412636 2063Xe S 20642 1.21659994 36.07062149 20652 1.43320000 -121.68736267 20662 1.90880001 216.33111572 20672 2.54670000 -141.30160522 20681 3.62890005 14.52881813 20690 1.17019999 7.16804600 2070Xe P 20712 1.30900002 -98.59880066 20722 1.72119999 220.61213684 20732 2.19219995 -188.76565552 20742 4.44519997 32.74736404 20751 1.00699997 36.21157455 20760 17.57859993 5.22042418 2077Xe D 20782 0.98509997 -42.51721954 20792 1.12979996 140.33753967 20802 1.43889999 -187.88984680 20812 1.84700000 125.39317322 20821 6.09460020 34.53021240 20830 17.32480049 7.17969799 2084end 2085ecp "La_CRENBS ECP" 2086La nelec 54 2087La ul 20882 0.20420000 -0.22267400 20892 0.53509998 -2.14405394 20902 1.43079996 -8.95630169 20912 4.21190023 -31.27042389 20922 13.20160007 -80.72589874 20931 39.32419968 -34.54819107 2094La S 20952 0.49239999 -57.20286942 20962 0.56680000 190.33511353 20972 0.73250002 -265.08895874 20982 1.01779997 250.97280884 20992 1.46050000 -178.21974182 21002 2.04999995 103.27313995 21011 6.22079992 34.95799255 21020 17.26569939 6.50971413 2103La P 21042 0.37990001 -28.08255768 21052 0.42660001 111.27140045 21062 0.53280002 -172.92143250 21072 0.71590000 176.78236389 21082 0.99599999 -131.83255005 21092 1.34940004 73.78304291 21101 4.17630005 29.54417992 21110 11.68099976 6.00691700 2112La D 21132 0.11310000 -0.03236600 21142 0.59270000 -24.12875366 21152 0.68229997 72.46633911 21162 0.86989999 -125.80812836 21172 1.17309999 177.71560669 21182 1.51779997 -112.06113434 21191 2.46650004 34.28693390 21200 12.28919983 7.13268280 2121end 2122ecp "Hf_CRENBS ECP" 2123Hf nelec 68 2124Hf ul 21252 0.56110001 -0.63135999 21262 1.35570002 -7.10547495 21272 3.52559996 -24.14714623 21282 9.66549969 -85.58006287 21292 31.15810013 -185.18806458 21301 91.57109833 -47.48435974 2131Hf S 21322 0.62709999 12.23064327 21332 0.70029998 -59.60324478 21342 0.87849998 156.65519714 21352 1.20389998 -204.99865723 21362 1.72860003 187.90031433 21372 2.40269995 -82.80174255 21381 4.02040005 40.81014252 21390 12.75230026 6.65634918 2140Hf P 21412 0.42649999 37.69438171 21422 0.47530001 -116.20706177 21432 0.57969999 196.35423279 21442 0.74269998 -211.90403748 21452 0.91619998 113.47141266 21462 3.80509996 47.26153183 21471 8.30080032 45.12688446 21480 23.66410065 5.77881813 2149Hf D 21502 0.25749999 -0.24424000 21512 0.56739998 11.36239910 21522 0.67530000 -36.05837250 21532 0.88800001 65.08800507 21542 1.21080005 -97.13800049 21552 1.56429994 75.79869080 21561 6.02829981 19.08870888 21570 5.42290020 8.35774994 2158Hf F 21592 0.60949999 -6.32602882 21602 0.68379998 12.38346767 21612 1.14269996 -67.87256622 21622 1.23740005 70.92347717 21632 4.84910011 36.17158890 21642 12.74800015 96.39685059 21651 33.74710083 28.85315132 21660 33.60300064 1.03963399 2167end 2168ecp "Ta_CRENBS ECP" 2169Ta nelec 68 2170Ta ul 21712 0.62690002 -0.71255600 21722 1.50860000 -7.58646679 21732 3.94729996 -25.98602867 21742 10.69579983 -91.30485535 21752 35.08679962 -202.25379944 21761 103.43869781 -48.06631088 2177Ta S 21782 0.68239999 12.13485432 21792 0.76580000 -59.38967896 21802 0.97399998 160.96141052 21812 1.35800004 -207.03143311 21822 2.00209999 187.82365417 21832 2.90079999 -85.49249268 21841 4.68419981 45.54972458 21850 16.76090050 6.45374203 2186Ta P 21872 0.46160001 38.24298859 21882 0.51789999 -117.84931946 21892 0.64080000 203.91978455 21902 0.83700001 -223.77775574 21912 1.05239999 121.21456146 21922 4.61880016 57.04997253 21931 9.97859955 46.13226318 21940 28.19230080 5.67695284 2195Ta D 21962 0.21950001 -0.11714300 21972 1.03610003 -28.52329445 21982 1.21870005 74.39411926 21992 1.62769997 -114.17246246 22002 2.29290009 155.09744263 22012 3.11770010 -83.56156921 22021 5.81510019 47.67310333 22030 23.04089928 7.06498909 2204Ta F 22052 0.47920001 22.67155838 22062 0.53090000 -63.55398560 22072 0.63300002 73.78347778 22082 0.78230000 -36.86455154 22092 1.46529996 16.23764420 22102 4.93750000 38.82068634 22111 10.75310040 28.87883759 22120 28.31669998 1.53800905 2213end 2214ecp "W_CRENBS ECP" 2215W nelec 68 2216W ul 22172 0.68370003 -0.75037998 22182 1.65279996 -8.05651283 22192 4.38019991 -27.77778625 22202 11.73820019 -96.63814545 22212 39.06900024 -219.25021362 22221 115.77369690 -48.63983536 2223W S 22242 0.10920000 -0.00559700 22252 0.87210000 -57.14800644 22262 1.01670003 168.47732544 22272 1.35259998 -202.82611084 22282 1.81850004 127.62249756 22292 2.72230005 -116.13665771 22301 1.86889994 68.52722931 22310 19.64010048 4.92766380 2232W P 22332 0.49710000 38.40269089 22342 0.55409998 -116.08489227 22352 0.68030000 199.11714172 22362 0.87900001 -217.43078613 22372 1.09570003 119.61345673 22382 4.52099991 54.77985001 22391 9.70989990 47.16429138 22400 27.31539917 5.72915888 2241W D 22422 0.81410003 -10.73067856 22432 0.22220001 -0.09588000 22442 0.88480002 13.17100811 22452 2.14289999 -74.29113007 22462 2.70149994 194.93284607 22472 3.51130009 -128.38191223 22481 5.69469976 22.44917870 22490 4.35500002 8.12122154 2250W F 22512 0.44949999 42.52615738 22522 0.50650001 -130.23117065 22532 0.62580001 176.63513184 22542 0.85600001 -173.75531006 22552 1.06809998 103.75617981 22562 4.84870005 59.37061310 22571 11.44680023 47.21155930 22580 37.23880005 4.74469805 2259end 2260ecp "Re_CRENBS ECP" 2261Re nelec 68 2262Re ul 22632 0.74460000 -0.80902398 22642 1.80200005 -8.50144196 22652 4.82390022 -29.58082199 22662 12.78439999 -101.49237061 22672 42.99539948 -235.57843018 22681 128.28930664 -49.22165298 2269Re S 22702 0.76179999 12.20130444 22712 0.85130000 -58.66179276 22722 1.06920004 154.63580322 22732 1.46480000 -191.60073853 22742 2.10380006 181.25675964 22752 2.93120003 -75.58824921 22761 4.98059988 44.00109863 22770 14.67980003 6.71948910 2278Re P 22792 0.53570002 38.36573791 22802 0.60270000 -120.06738281 22812 0.74870002 213.54537964 22822 0.98460001 -236.23445129 22832 1.24810004 130.94828796 22842 5.42570019 66.50952911 22851 11.56700039 48.34811783 22860 31.93650055 5.64982986 2287Re D 22882 0.26010001 -0.13630500 22892 1.42289996 76.10538483 22902 1.18320000 -25.86570549 22912 1.91129994 -131.80529785 22922 2.73810005 203.93190002 22932 3.77220011 -130.43125916 22941 6.40880013 53.73962021 22950 28.94709969 6.90621901 2296Re F 22972 0.45539999 42.60373306 22982 0.51609999 -132.34577942 22992 0.64760000 197.70394897 23002 0.85759997 -187.96063232 23012 1.09650004 99.53369141 23022 4.66149998 50.98129654 23031 10.15660000 43.48990631 23040 28.48620033 4.84967518 2305end 2306ecp "Os_CRENBS ECP" 2307Os nelec 68 2308Os ul 23092 0.80779999 -0.87657899 23102 1.95379996 -8.94104481 23112 5.28529978 -31.52030945 23122 13.87800026 -106.30191803 23132 47.06290054 -252.03785706 23141 141.49729919 -49.82308578 2315Os S 23162 0.80199999 26.27425575 23172 0.90719998 -96.17611694 23182 1.15779996 211.95298767 23192 1.61629999 -253.41165161 23202 2.36520004 228.25082397 23212 3.38779998 -102.19163513 23221 5.56780005 48.77917480 23230 19.54560089 6.43857288 2324Os P 23252 0.56970000 37.43206406 23262 0.63859999 -116.31768799 23272 0.78920001 207.20248413 23282 1.02970004 -229.60458374 23292 1.29589999 129.95959473 23302 5.37249994 63.95362473 23311 11.33450031 49.04730225 23320 31.14130020 5.68902302 2333Os D 23342 0.31650001 -0.25271201 23352 0.78649998 13.53297424 23362 0.92989999 -43.62031174 23372 1.21500003 79.10832977 23382 1.65980005 -120.06851196 23392 2.16799998 100.24253845 23401 8.58160019 51.20841217 23410 30.71570015 7.07804298 2342Os F 23432 0.42480001 42.01272964 23442 0.48190001 -130.60057068 23452 0.60549998 195.07528687 23462 0.80210000 -184.75950623 23472 1.02779996 97.17532349 23482 4.36679983 47.79431534 23491 9.82260036 44.16305923 23500 27.93250084 4.86101103 2351end 2352ecp "Ir_CRENBS ECP" 2353Ir nelec 68 2354Ir ul 23552 0.86720002 -0.91868699 23562 2.10159993 -9.34183121 23572 5.73199987 -33.08732224 23582 14.90610027 -110.59931183 23592 50.87039948 -266.87414551 23601 154.07629395 -50.38343811 2361Ir S 23622 0.84130001 27.13777351 23632 0.95020002 -97.93394470 23642 1.20710003 212.03878784 23652 1.67019999 -248.60784912 23662 2.41790009 227.19543457 23672 3.39159989 -97.36859131 23681 5.76249981 47.97808456 23690 18.47249985 6.55392122 2370Ir P 23712 0.65630001 57.66228867 23722 0.72520000 -154.39692688 23732 0.90340000 247.69586182 23742 1.23109996 -276.29647827 23752 1.78830004 270.38247681 23762 2.38120008 -159.55268860 23771 3.08200002 41.99956512 23780 11.04860020 5.93545818 2379Ir D 23802 0.28540000 -0.12088400 23812 0.83289999 -1.39111197 23822 1.77460003 43.52083206 23832 2.23830009 -142.59112549 23842 3.04940009 247.56771851 23852 4.09219980 -151.51245117 23861 6.55800009 24.36254120 23870 5.53870010 8.04463005 2388Ir F 23892 0.30829999 -19.30400848 23902 0.34630001 60.73864746 23912 0.42930001 -107.93820953 23922 0.57349998 136.65959167 23932 0.79500002 -107.83163452 23942 1.15090001 58.89172745 23951 4.22580004 29.42035294 23960 9.36260033 5.93143177 2397end 2398ecp "Pt_CRENBS ECP" 2399Pt nelec 68 2400Pt ul 24012 0.91210002 -0.97492802 24022 2.16540003 -9.49699306 24032 6.06580019 -31.97232437 24042 15.52079964 -115.02309418 24052 52.94639969 -275.53890991 24061 160.88090515 -50.80278015 2407Pt S 24082 1.14330006 -80.75402069 24092 1.32480001 255.40243530 24102 1.72399998 -314.58084106 24112 2.41059995 297.73495483 24122 3.49970007 -197.63934326 24132 5.13000011 146.50839233 24141 12.90919971 48.66068268 24150 34.22660065 4.06491184 2416Pt P 24172 0.85159999 -17.78671646 24182 0.97509998 96.91400146 24192 1.26619995 -146.01452637 24202 1.80509996 147.23194885 24212 2.70499992 -89.58618164 24222 4.24480009 85.01801300 24231 10.74390030 50.10876846 24240 31.21459961 5.64266300 2425Pt D 24262 0.28200001 -0.11851300 24272 1.26719999 -17.32895088 24282 1.56920004 49.30339050 24292 2.30189991 -115.68026733 24302 3.29360008 226.66456604 24312 4.60909987 -154.83076477 24321 7.73649979 59.63909912 24330 36.09999847 6.81120205 2434Pt F 24352 0.32130000 -28.15009499 24362 0.33379999 31.23972702 24372 1.39119995 47.82197189 24382 1.49779999 -29.59718513 24392 3.37039995 68.58837128 24402 3.54679990 -27.41664124 24411 8.28349972 44.57673645 24420 23.96439934 4.99491882 2443end 2444ecp "Au_CRENBS ECP" 2445Au nelec 68 2446Au ul 24472 0.96569997 -0.98690200 24482 2.29040003 -9.68630600 24492 6.43839979 -32.57246399 24502 16.36459923 -118.53087616 24512 55.98929977 -286.25463867 24521 171.10139465 -51.27423096 2453Au S 24542 1.22479999 -84.96929932 24552 1.43359995 280.17764282 24562 1.89289999 -354.64355469 24572 2.69630003 334.33190918 24582 3.98990011 -219.39260864 24592 6.00549984 170.85874939 24601 14.58259964 56.33872986 24610 39.31069946 6.40929985 2462Au P 24632 0.90640002 -6.91190100 24642 1.03110003 72.12546539 24652 1.32869995 -114.97533417 24662 1.90369999 123.61668396 24672 2.83640003 -71.13571167 24682 4.58839989 79.01660156 24691 11.19810009 51.28700638 24700 32.29570007 5.65198278 2471Au D 24722 0.29310000 -0.11365700 24732 1.03009999 -2.40402508 24742 2.01859999 62.58111572 24752 3.43919992 255.44717407 24762 5.15789986 -161.80647278 24772 2.51489997 -175.77076721 24781 8.06239986 63.62079239 24790 41.02849960 6.75031996 2480Au F 24812 0.43349999 -47.60779953 24822 0.50970000 176.31802368 24832 0.57959998 -168.67689514 24842 0.77109998 54.49244690 24852 2.59349990 37.71539307 24862 8.39070034 -24.13967514 24871 6.92939997 49.16802216 24880 22.25889969 4.75958586 2489end 2490ecp "Hg_CRENBS ECP" 2491Hg nelec 68 2492Hg ul 24932 1.06610000 -1.12559295 24942 2.55520010 -10.71220970 24952 7.32770014 -37.99799728 24962 18.27160072 -124.30549622 24972 62.89289856 -312.36462402 24981 194.98759460 -52.26305771 2499Hg S 25002 1.31060004 -84.91705322 25012 1.52559996 276.98867798 25022 1.99909997 -338.39907837 25032 2.82430005 317.14492798 25042 4.17210007 -203.94287109 25052 6.28849983 165.25131226 25061 15.61279964 50.15279770 25070 40.71989822 3.97959089 2508Hg P 25092 0.97350001 -14.86320400 25102 1.12080002 94.56565857 25112 1.47000003 -141.04397583 25122 2.11899996 143.83683777 25132 3.24379992 -80.44802094 25142 5.32800007 94.06087494 25151 12.84560013 52.95009613 25160 36.97430038 5.60394382 2517Hg D 25182 1.48909998 64.18244171 25192 0.35940000 -0.14345001 25202 1.38450003 -47.45405960 25212 2.66899991 -103.45832825 25222 3.74539995 235.98704529 25232 5.63350010 -176.66653442 25241 8.81350040 67.14499664 25250 47.66930008 6.69803810 2526Hg F 25272 0.72380000 -41.44611359 25282 0.82499999 136.94160461 25292 1.04799998 -188.02015686 25302 1.42739999 196.11465454 25312 2.01430011 -135.42480469 25322 2.81360006 97.13301849 25331 8.31449985 44.36238861 25340 22.51950073 5.04563379 2535end 2536ecp "Tl_CRENBS ECP" 2537Tl nelec 78 2538Tl ul 25392 0.46190000 -0.92260802 25402 1.26100004 -9.82639122 25412 3.66100001 -29.63323402 25422 12.76679993 -127.58123779 25432 35.78359985 -146.62228394 25441 70.47019959 -47.99895096 2545Tl S 25462 0.13519999 -0.05907200 25472 1.23899996 -64.68917084 25482 1.48860002 220.17427063 25492 1.93190002 -223.00572205 25502 2.68700004 57.81162262 25512 2.72000003 71.11991119 25521 8.38749981 47.15434647 25530 19.96290016 6.74191904 2554Tl P 25552 0.13169999 -0.02902800 25562 0.91710001 -54.72768784 25572 1.10119998 212.20933533 25582 1.38259995 -258.96139526 25592 1.78760004 136.79188538 25602 5.27500010 23.77701378 25611 8.77429962 43.26328278 25620 21.40629959 5.95445013 2563Tl D 25642 0.48130000 86.40260315 25652 0.51300001 -117.92408752 25662 0.65280002 43.22091675 25672 2.15140009 1.91541195 25682 2.62500000 39.04885864 25692 5.90950012 -78.68812561 25701 5.60659981 71.56571960 25710 29.18090057 6.89653492 2572Tl F 25732 0.15830000 2.14265800 25742 0.67150003 14.02194405 25752 1.27699995 -23.81462097 25762 1.78149998 84.82133484 25772 2.27900004 -42.85478210 25782 4.75339985 86.60637665 25791 10.52620029 58.78616333 25800 21.88240051 9.16978836 2581end 2582ecp "Pb_CRENBS ECP" 2583Pb nelec 78 2584Pb ul 25852 0.50800002 -0.74859297 25862 1.29289997 -8.60412693 25872 3.43869996 -26.17820168 25882 11.49810028 -107.49287415 25892 36.33620071 -246.23016357 25901 113.20490265 -56.31761551 2591Pb S 25922 0.22970000 -0.14575300 25932 0.93140000 38.23120117 25942 1.07169998 -96.50691986 25952 1.55499995 241.82226562 25962 2.09069991 -282.88000488 25972 2.90470004 164.92074585 25981 9.83230019 52.07824707 25990 27.40800095 6.50291586 2600Pb P 26012 0.14990000 -0.02626400 26022 1.24570000 248.63769531 26032 1.03120005 -63.24785995 26042 1.59749997 -321.25946045 26052 2.07649994 179.96823120 26062 5.17929983 1.05947304 26071 8.42840004 47.10823059 26080 24.58130074 5.81061316 2609Pb D 26102 0.61720002 93.85963440 26112 0.70740002 -202.12463379 26122 0.91750002 226.66917419 26132 1.22179997 -178.51530457 26142 1.64769995 97.73090363 26152 5.08220005 47.09598160 26161 8.89140034 44.10550690 26170 17.54299927 7.95272112 2618Pb F 26192 0.81099999 124.17366028 26202 0.94230002 -255.84779358 26212 1.22370005 257.96179199 26222 1.67830002 -191.85612488 26232 2.25040007 113.37288666 26242 8.25269985 90.45600128 26251 16.56539917 51.46012878 26260 42.04230118 4.82522202 2627end 2628ecp "Bi_CRENBS ECP" 2629Bi nelec 78 2630Bi ul 26312 0.56889999 -0.70747900 26322 1.39390004 -8.35064983 26332 3.53730011 -25.68899536 26342 11.37679958 -99.04219818 26352 33.82360077 -227.29902649 26361 104.52100372 -55.69332886 2637Bi S 26382 0.52440000 -34.60086823 26392 0.54009998 38.51860809 26402 1.12189996 -48.42468262 26412 1.53910005 150.18840027 26422 2.36249995 -223.60801697 26432 3.00480008 192.42153931 26441 9.95259953 54.63947296 26450 27.90049934 6.56644678 2646Bi P 26472 0.16890000 -0.02339300 26482 1.08780003 -74.60871887 26492 1.27289999 231.86610413 26502 1.64979994 -272.94262695 26512 2.12190008 163.37461853 26522 9.05420017 -7.98877001 26531 7.60179996 45.16691589 26540 18.94759941 5.93953514 2655Bi D 26562 0.74769998 106.07496643 26572 0.87339997 -232.36282349 26582 1.14359999 250.49478149 26592 1.58449996 -186.17285156 26602 2.19569993 113.54383087 26612 6.44960022 38.24295044 26621 9.12709999 43.72408295 26630 18.45389938 8.00164509 2664Bi F 26652 0.57910001 110.70706177 26662 0.63279998 -148.41661072 26672 0.98130000 123.52549744 26682 1.35769999 -189.74470520 26692 1.64100003 140.47151184 26702 5.68540001 52.21812058 26711 10.56250000 37.94526672 26720 17.24570084 5.43266582 2673end 2674ecp "Po_CRENBS ECP" 2675Po nelec 78 2676Po ul 26772 0.62919998 -0.68128300 26782 1.52219999 -8.54319859 26792 3.77830005 -26.42345810 26802 11.88829994 -99.83397675 26812 34.90750122 -228.19705200 26821 106.91159821 -55.57450104 2683Po S 26842 0.25819999 -0.08444800 26852 1.56389999 -80.85897827 26862 1.88989997 254.40237427 26872 2.68810010 -269.28668213 26882 4.13819981 235.26022339 26892 6.86339998 -115.93589020 26901 9.40100002 65.20384979 26910 36.99940109 6.07269716 2692Po P 26932 0.20640001 -0.02554400 26942 1.15900004 -71.26758575 26952 1.36510003 220.39631653 26962 1.80060005 -248.64100647 26972 2.40829992 156.54104614 26982 10.21560001 140.72520447 26991 23.22529984 66.54429626 27000 66.82530212 5.46325779 2701Po D 27022 0.65869999 -52.11019135 27032 0.74949998 168.50531006 27042 0.94880003 -243.10089111 27052 1.28760004 250.63352966 27062 1.81920004 -185.83685303 27072 2.51469994 120.02333069 27081 7.50089979 45.58230591 27090 16.72979927 7.91772079 2710Po F 27112 0.42980000 -0.15798301 27122 2.06590009 -49.45363617 27132 2.49589992 159.05288696 27142 3.37210011 -265.50646973 27152 4.42969990 231.14622498 27162 9.18620014 -54.27425766 27171 12.39190006 53.80932999 27180 49.19279861 4.43020916 2719end 2720ecp "At_CRENBS ECP" 2721At nelec 78 2722At ul 27232 0.71289998 -0.77448499 27242 1.67809999 -9.04102802 27252 4.16319990 -28.50047112 27262 13.12460041 -109.59169006 27272 39.27880096 -245.29591370 27281 119.85289764 -56.34064484 2729At S 27302 0.83800000 -45.67423248 27312 0.96259999 132.16868591 27322 1.22790003 -217.87092590 27332 1.69780004 325.10427856 27342 2.43869996 -306.25015259 27352 3.35560012 195.50265503 27361 9.58790016 40.29927444 27370 15.94320011 7.16939592 2738At P 27392 0.23510000 -0.02650500 27402 1.32900000 -90.51212311 27412 1.55100000 286.96719360 27422 2.01480007 -331.29653931 27432 2.61159992 193.59178162 27442 7.40170002 -9.22439098 27451 8.69470024 47.91704941 27460 22.87330055 5.86008310 2747At D 27482 0.71300000 -48.58103561 27492 0.79850000 140.93241882 27502 1.02859998 -197.97145081 27512 1.37629998 188.84280396 27522 2.12829995 -125.92828369 27532 3.01410007 112.62237549 27541 9.30930042 56.06732941 27550 25.96680069 7.51697207 2756At F 27572 0.51190001 31.65410233 27582 0.63190001 -52.62594604 27592 0.91280001 48.30789185 27602 1.45959997 -20.87113571 27612 2.70810008 42.20579529 27622 4.43590021 17.82291985 27631 9.46450043 47.56859589 27640 23.41760063 5.06970882 2765end 2766ecp "Rn_CRENBS ECP" 2767Rn nelec 78 2768Rn ul 27692 0.76840001 -0.72139901 27702 1.77160001 -8.75459194 27712 4.31479979 -28.94036484 27722 13.43430042 -107.48715973 27732 39.14410019 -240.13769531 27741 118.78569794 -56.16814423 2775Rn S 27762 0.92170000 -41.80408478 27772 1.05760002 121.57847595 27782 1.35520005 -207.84539795 27792 1.90330005 339.97991943 27802 2.81410003 -331.86575317 27812 4.04860020 214.76388550 27821 14.25360012 63.20500565 27830 47.45729828 6.29603815 2784Rn P 27852 1.26999998 -43.26960754 27862 1.60210001 179.17414856 27872 2.24740005 -231.13307190 27882 3.36470008 229.06947327 27892 5.19239998 -126.94128418 27902 8.58419991 152.43060303 27911 19.64229965 58.18738174 27920 52.35680008 5.53178597 2793Rn D 27942 0.79329997 -41.88452148 27952 0.90460002 142.92504883 27962 1.15869999 -203.37625122 27972 1.60080004 205.23439026 27982 2.36409998 -142.26692200 27992 3.43790007 118.22145844 28001 10.24720001 58.02330017 28010 28.55220032 7.45458698 2802Rn F 28032 0.14659999 2.04597211 28042 0.51359999 10.23069572 28052 1.44169998 26.78542519 28062 2.17149997 41.19087219 28072 1.90530002 -31.82834816 28082 4.78660011 78.47965240 28091 10.76189995 61.61168289 28100 22.37039948 9.20025444 2811end 2812ecp "Rf_CRENBS ECP" 2813Rf nelec 78 2814Rf ul 28152 0.64980000 -0.53734702 28162 1.71910000 -8.06726646 28172 4.40299988 -34.81238937 28182 12.45800018 -91.22399139 28192 39.95220184 -314.49761963 28201 130.94590759 -66.69921112 2821Rf S 28222 0.32659999 -0.06628000 28232 1.22720003 -17.68910789 28242 1.58260000 70.77236938 28252 2.27509999 -149.70988464 28262 3.77990007 334.75735474 28272 6.59460020 -317.54019165 28281 10.36009979 134.17593384 28290 66.56880188 13.30533981 2830Rf P 28312 0.02510000 -0.00208700 28322 1.20860004 2.65595388 28332 0.24969999 -0.08497600 28342 2.47309995 -109.66239166 28352 3.07040000 291.62374878 28362 4.64569998 -204.21318054 28371 6.86539984 75.00829315 28380 32.44260025 9.11184978 2839Rf D 28402 0.25889999 -0.05617200 28412 1.28269994 46.69693375 28422 1.51339996 -138.69293213 28432 2.08520007 274.69754028 28442 3.11599994 -324.34506226 28452 4.60879993 261.81149292 28461 16.74300003 32.16699982 28470 13.11320019 8.76448536 2848Rf F 28492 0.77990001 79.36284637 28502 0.90509999 -205.71897888 28512 1.18190002 270.89202881 28522 1.64390004 -225.02207947 28532 2.27320004 145.16358948 28542 6.22919989 -22.45967484 28551 6.19579983 58.64430618 28560 18.50289917 10.05754566 2857end 2858ecp "Db_CRENBS ECP" 2859Db nelec 78 2860Db ul 28612 0.77600002 -0.65471399 28622 2.02629995 -9.76324844 28632 5.14930010 -40.44058990 28642 14.69419956 -104.13725281 28652 45.58700180 -338.95748901 28661 149.36329651 -68.10799408 2867Db S 28682 1.17390001 -34.70179749 28692 1.39569998 76.95998383 28702 2.26209998 -141.27700806 28712 3.85899997 348.22421265 28722 7.21000004 -362.54281616 28731 11.80280018 143.06939697 28740 55.64580154 11.25803185 2875Db P 28762 0.31999999 -0.10235900 28772 0.03880000 -0.00196000 28782 1.70449996 14.73436260 28792 2.36089993 -74.83725739 28802 3.60220003 313.12643433 28812 5.37830019 -301.73831177 28821 8.45479965 85.84611511 28830 47.01179886 7.74267483 2884Db D 28852 0.28870001 -0.05414700 28862 1.35810006 40.55759430 28872 1.63419998 -147.52484131 28882 2.17650008 300.05264282 28892 3.17409992 -325.15438843 28902 4.65959978 253.42854309 28911 16.08639908 69.35150146 28920 44.61819839 7.48878717 2893Db F 28942 0.76020002 -46.10631943 28952 0.86769998 150.97125244 28962 1.10450006 -244.64485168 28972 1.53149998 300.79312134 28982 2.19540000 -237.39018250 28992 3.15269995 163.81806946 29001 8.63409996 55.56921005 29010 20.93560028 10.16373539 2902end 2903ecp "Sg_CRENBS ECP" 2904Sg nelec 78 2905Sg ul 29062 0.79670000 -0.47456899 29072 2.03859997 -8.39396000 29082 5.01809978 -37.51765060 29092 13.73250008 -95.68633270 29102 43.01670074 -324.34008789 29111 139.77789307 -67.13984680 2912Sg S 29132 0.87760001 17.24531746 29142 1.01779997 -43.63758469 29152 1.49179995 81.75720215 29162 2.33430004 -159.66740417 29172 4.06549978 366.79449463 29182 7.55929995 -377.86544800 29191 12.47819996 154.13887024 29200 93.08290100 13.19497108 2921Sg P 29222 0.32060000 -0.09031400 29232 1.95879996 56.94713974 29242 2.36330009 -180.84945679 29252 3.34130001 391.77337646 29262 5.16979980 -419.33987427 29272 8.40610027 433.02319336 29281 24.64270020 36.61349869 29290 21.32880020 15.14623356 2930Sg D 29312 0.93660003 -21.79429817 29322 1.12039995 74.87451935 29332 1.50139999 -153.15386963 29342 2.18589997 285.91397095 29352 3.33150005 -311.64852905 29362 5.06120014 255.27221680 29371 15.03999996 41.12371826 29380 19.94799995 8.44828129 2939Sg F 29402 0.90640002 -52.10965729 29412 1.04079998 161.16891479 29422 1.36020005 -250.28753662 29432 1.92089999 301.22125244 29442 2.85299993 -220.96096802 29452 4.27040005 176.55421448 29461 10.59130001 52.23459625 29470 21.02219963 10.22261810 2948end 2949ecp "Bh_CRENBS ECP" 2950Bh nelec 78 2951Bh ul 29522 0.98379999 -0.80100000 29532 2.56060004 -12.55797863 29542 6.48890018 -49.94210052 29552 18.93650055 -129.57197571 29562 56.69279861 -379.92980957 29571 184.42219543 -70.42622375 2958Bh S 29592 0.91329998 12.40707779 29602 1.11679995 -43.63005066 29612 1.57620001 90.79479980 29622 2.44790006 -168.45436096 29632 4.22580004 376.05276489 29642 7.73729992 -367.84445190 29651 12.60820007 150.67892456 29660 87.17610168 13.17698097 2967Bh P 29682 0.36950001 -0.08552100 29692 2.37129998 77.27175903 29702 2.82439995 -248.70043945 29712 3.91650009 568.45404053 29722 5.98430014 -663.79858398 29732 9.35289955 552.64831543 29741 29.15589905 38.02246094 29750 25.50869942 11.82327938 2976Bh D 29772 1.01419997 -22.36001587 29782 1.22090006 85.30081177 29792 1.59909999 -170.91252136 29802 2.32730007 306.43765259 29812 3.55940008 -334.47814941 29822 5.36320019 273.66098022 29831 15.80469990 42.24557877 29840 21.23380089 8.40456772 2985Bh F 29862 1.02869999 -48.46724319 29872 1.20309997 159.86662292 29882 1.59549999 -242.64947510 29892 2.32680011 290.39175415 29902 3.54970002 -196.07756042 29912 5.71150017 191.15304565 29921 13.51959991 50.54248428 29930 22.61070061 10.22865868 2994end 2995ecp "Hs_CRENBS ECP" 2996Hs nelec 78 2997Hs ul 29982 0.89690000 -0.40707099 29992 2.31310010 -8.49390221 30002 5.56360006 -39.60696030 30012 14.84580040 -98.78456879 30022 45.65079880 -330.96908569 30031 147.20489502 -67.52664948 3004Hs S 30052 0.97890002 14.47416019 30062 1.18789995 -48.33409882 30072 1.66719997 96.42750549 30082 2.56940007 -174.88337708 30092 4.39629984 382.98510742 30102 7.94070005 -356.31979370 30111 12.77700043 147.68022156 30120 82.82399750 13.20226002 3013Hs P 30142 1.33739996 -32.19975281 30152 1.63469994 108.10735321 30162 2.27559996 -219.73333740 30172 3.50679994 448.84582520 30182 5.72559977 -495.56390381 30192 9.82600021 531.29858398 30201 30.71710014 39.34156418 30210 26.00200081 14.98658657 3022Hs D 30232 1.09399998 -28.14918518 30242 1.27800000 89.61594391 30252 1.68449998 -172.12962341 30262 2.42050004 311.19274902 30272 3.63439989 -326.20828247 30282 5.39550018 262.40228271 30291 15.18869972 47.86997223 30300 24.63360023 8.24617290 3031Hs F 30322 1.14839995 -49.93559265 30332 1.34630001 166.81072998 30342 1.79219997 -251.10534668 30352 2.62019992 302.56961060 30362 4.01240015 -202.46400452 30372 6.45510006 207.00709534 30381 14.89529991 48.09059525 30390 22.67239952 10.32700920 3040end 3041ecp "Mt_CRENBS ECP" 3042Mt nelec 78 3043Mt ul 30442 1.09500003 -0.74297798 30452 2.91100001 -13.41946411 30462 7.32439995 -54.97222137 30472 21.52109909 -143.76640320 30482 64.15280151 -406.55346680 30491 208.51269531 -71.89653015 3050Mt S 30512 1.33299994 -7.34562016 30522 2.02559996 102.14970398 30532 2.44079995 -97.02303314 30542 2.43510008 -70.05287933 30552 4.65819979 319.74011230 30562 9.05230045 -335.57214355 30571 15.96430016 172.15246582 30580 94.16269684 11.66264439 3059Mt P 30602 1.50030005 -26.10199547 30612 1.86290002 100.26631927 30622 2.55890012 -222.64721680 30632 3.87820005 484.85922241 30642 6.26410007 -535.24053955 30652 10.69680023 555.70434570 30661 31.22590065 36.36815643 30670 26.58390045 15.10842323 3068Mt D 30692 1.15349996 -28.65304184 30702 1.36829996 101.30146027 30712 1.80929995 -208.37680054 30722 2.59789991 363.42593384 30732 4.11630011 -395.47091675 30742 6.27680016 332.53170776 30751 19.16920090 46.90684509 30760 26.24629974 8.15634346 3077Mt F 30782 1.27059996 -45.76492691 30792 1.50890005 164.03099060 30802 2.03139997 -253.09852600 30812 2.97460008 300.89227295 30822 4.75339985 -192.39811707 30832 7.74849987 237.14663696 30841 18.34600067 45.00236511 30850 23.06489944 10.40074730 3086end 3087ecp "Uun_CRENBS ECP" 3088Uun nelec 78 3089Uun ul 30902 0.97039998 -0.38488799 30912 2.63730001 -9.26492691 30922 6.38520002 -45.04315567 30932 17.33930016 -112.13700104 30942 52.76750183 -361.93988037 30951 171.28930664 -69.28562927 3096Uun S 30972 0.91240001 9.98001003 30982 1.16279995 -38.31972885 30992 1.68410003 86.86959839 31002 2.64219999 -165.24264526 31012 4.74919987 394.74166870 31022 9.12629986 -401.45690918 31031 15.64410019 167.14576721 31040 108.73419952 12.86290455 3105Uun P 31062 1.44640005 -39.12063217 31072 1.75179994 127.03466797 31082 2.44619989 -251.35256958 31092 3.84340000 520.13391113 31102 6.47580004 -596.80731201 31112 11.81750011 673.24835205 31121 40.54529953 44.02772522 31130 33.48559952 14.78904724 3114Uun D 31152 1.57159996 45.61864090 31162 1.91009998 -139.63633728 31172 3.02150011 176.86773682 31182 2.87560010 203.08148193 31192 4.59369993 -484.80718994 31202 8.54810047 507.97024536 31211 25.92539978 51.64402771 31220 36.39059830 13.12271595 3123Uun F 31242 0.96329999 33.98367310 31252 1.11420000 -106.38691711 31262 1.46319997 202.39926147 31272 2.08540010 -263.34228516 31282 3.15229988 300.34536743 31292 4.69600010 -148.45513916 31301 6.99860001 68.81867218 31310 25.59560013 9.56567860 3132end 3133ecp "Uuu_CRENBS ECP" 3134Uuu nelec 78 3135Uuu ul 31362 0.95310003 -0.32236299 31372 2.71120000 -8.95000935 31382 6.66739988 -47.34468079 31392 18.54960060 -120.62183380 31402 56.97259903 -381.87905884 31411 186.63200378 -70.45829773 3142Uuu S 31432 1.02149999 14.50174332 31442 1.25119996 -46.82580948 31452 1.78489995 92.41125488 31462 2.80719996 -172.52191162 31472 4.95310020 406.45220947 31482 9.41689968 -394.51675415 31491 15.88309956 165.66056824 31500 110.13320160 13.12652397 3151Uuu P 31522 1.52569997 -39.41797256 31532 1.83560002 127.47083282 31542 2.54509997 -251.71250916 31552 3.96620011 517.51782227 31562 6.62620020 -577.28588867 31572 11.93750000 652.11895752 31581 39.44400024 42.73094177 31590 32.64960098 14.86693573 3160Uuu D 31612 1.18400002 -30.46347046 31622 1.40820003 100.25511169 31632 1.91719997 -199.13177490 31642 2.92030001 397.95111084 31652 4.75159979 -467.31484985 31662 8.01140022 445.34387207 31671 29.17169952 43.25403595 31680 25.30310059 10.11776924 3169Uuu F 31702 1.05470002 35.77651978 31712 1.22990000 -114.93055725 31722 1.62460005 219.44570923 31732 2.36039996 -282.55181885 31742 3.61310005 321.35775757 31752 5.56540012 -152.14401245 31761 8.37580013 73.91309357 31770 30.58410072 9.39147854 3178end 3179ecp "Uub_CRENBS ECP" 3180Uub nelec 78 3181Uub ul 31822 0.84310001 -0.18449500 31832 2.47230005 -5.99773884 31842 5.96610022 -38.91652298 31852 15.68799973 -102.47972870 31862 49.70149994 -347.99868774 31871 161.47900391 -68.48889160 3188Uub S 31892 1.78670001 -49.13172913 31902 1.87220001 65.11958313 31912 3.29320002 -102.82269287 31922 5.16330004 327.32092285 31932 9.97659969 -278.88571167 31941 15.74470043 148.84440613 31950 56.91540146 11.23232841 3196Uub P 31972 1.56340003 -36.84341812 31982 1.87940001 120.38536072 31992 2.60240006 -239.35188293 32002 4.06279993 497.39801025 32012 6.78389978 -547.43756104 32022 12.24069977 657.42504883 32031 40.53250122 45.18113709 32040 33.59000015 14.85985756 3205Uub D 32062 1.11950004 -26.86799622 32072 1.33759999 85.13291931 32082 1.87230003 -174.76162720 32092 2.89299989 358.17767334 32102 4.80149984 -414.63287354 32112 8.52639961 468.03680420 32121 29.18429947 43.06929398 32130 25.79220009 13.08172894 3214Uub F 32152 1.25119996 48.66356659 32162 1.47459996 -156.47506714 32172 1.99919999 321.75137329 32182 2.98370004 -431.87277222 32192 4.77530003 473.96679688 32202 7.78679991 -225.62242126 32211 11.98999977 90.02098846 32220 47.78559875 8.87608147 3223end 3224ecp "Uut_CRENBS ECP" 3225Uut nelec 78 3226Uut ul 32272 1.12349999 -0.37092099 32282 2.93390012 -8.81424236 32292 6.90929985 -42.93988800 32302 16.85230064 -95.36411285 32312 46.56829834 -284.66775513 32322 142.42050171 -641.74371338 32331 447.96258545 -82.60738373 3234Uut S 32352 0.52460003 -8.71335411 32362 0.54049999 9.87740517 32372 1.32169998 -21.81922150 32382 1.81260002 64.81436157 32392 2.86030006 -133.79281616 32402 5.08739996 335.69247437 32412 9.62030029 -273.98168945 32421 15.98349953 156.72793579 32430 92.81759644 13.21156883 3244Uut P 32452 0.93089998 1.44575000 32462 1.39740002 -13.78565598 32472 2.16450000 102.82310486 32482 2.94490004 -291.15481567 32492 4.38689995 600.88586426 32502 7.19789982 -620.62963867 32512 13.01369953 674.37329102 32521 45.73569870 171.24366760 32530 169.98429871 12.67869759 3254Uut D 32552 1.37539995 -36.79852676 32562 1.60179996 115.17156219 32572 2.13220000 -221.51458740 32582 3.14089990 423.05242920 32592 4.94649982 -460.61102295 32602 8.24370003 465.85800171 32612 14.45909977 -165.12670898 32621 23.07839966 96.46534729 32630 86.47489929 6.97183180 3264Uut F 32652 1.10249996 38.35033035 32662 1.28199995 -120.87174225 32672 1.69509995 230.47367859 32682 2.43810010 -299.48822021 32692 3.74359989 353.54263306 32702 5.94259977 -208.64114380 32712 10.24619961 283.83267212 32721 28.94639969 105.78066254 32730 91.19529724 8.86099720 3274end 3275ecp "Uuq_CRENBS ECP" 3276Uuq nelec 78 3277Uuq ul 32782 0.96170002 -0.18338300 32792 2.63199997 -5.71889782 32802 6.05880022 -33.33116531 32812 14.08959961 -82.59452057 32822 39.39049911 -234.91143799 32832 110.79010010 -516.63293457 32841 338.01220703 -77.89394379 3285Uuq S 32862 0.60210001 -16.45197105 32872 0.66310000 33.12499237 32882 0.81809998 -22.99616241 32892 1.96480000 53.47457886 32902 2.98970008 -147.87712097 32912 5.49429989 405.93011475 32922 11.07250023 -413.64730835 32931 19.80730057 183.07305908 32940 133.67860413 12.67560387 3295Uuq P 32962 1.13329995 21.04255104 32972 1.31760001 -62.41142273 32982 1.76049995 113.42244720 32992 2.58990002 -201.14631653 33002 4.14230013 408.05767822 33012 6.94199991 -373.06161499 33022 13.24689960 534.60516357 33031 41.69400024 161.95945740 33040 146.89070129 12.76073456 3305Uuq D 33062 0.79750001 23.09725189 33072 0.92220002 -63.86854172 33082 1.25320005 113.15322876 33092 1.85730004 -194.74189758 33102 3.02550006 374.28125000 33112 5.20529985 -432.29327393 33122 9.80080032 529.60205078 33131 42.53609848 49.03877258 33140 27.08040047 12.66675377 3315Uuq F 33162 1.19000006 38.57857513 33172 1.40439999 -129.95072937 33182 1.86679995 252.96945190 33192 2.73460007 -321.00161743 33202 4.27299976 373.65194702 33212 6.94280005 -202.08781433 33222 12.33860016 314.60552979 33231 33.95059967 112.11319733 33240 108.48229980 8.81256962 3325end 3326ecp "Uup_CRENBS ECP" 3327Uup nelec 78 3328Uup ul 33292 1.03629994 -0.23717099 33302 2.89010000 -6.68731308 33312 6.72580004 -38.34349823 33322 16.03549957 -92.20713806 33332 45.67490005 -277.98803711 33342 139.17390442 -631.09533691 33351 440.17831421 -82.66679382 3336Uup S 33372 0.61339998 -4.28174210 33382 0.76719999 15.86108971 33392 1.09210002 -33.91468048 33402 1.72210002 66.60488892 33412 2.88360000 -133.20056152 33422 5.42990017 352.12524414 33432 11.02070045 -309.86007690 33441 19.70549965 179.74906921 33450 131.03160095 13.12773705 3346Uup P 33472 1.07410002 21.44690132 33482 1.28369999 -68.36571503 33492 1.77999997 140.41043091 33502 2.66300011 -260.70925903 33512 4.40019989 543.20263672 33522 7.67649984 -610.92993164 33532 14.89080048 802.35137939 33541 55.97639847 47.71398163 33550 40.88809967 14.75097847 3356Uup D 33572 0.78979999 15.72164917 33582 0.94580001 -52.31138229 33592 1.29550004 105.27429199 33602 1.94790006 -193.76597595 33612 3.18709993 393.06030273 33622 5.50740004 -462.18807983 33632 10.40719986 565.23638916 33641 39.14789963 46.74350357 33650 31.47010040 12.91460800 3366Uup F 33672 1.29799998 45.80898666 33682 1.50849998 -138.86843872 33692 2.01329994 260.21231079 33702 2.94149995 -327.43893433 33712 4.57200003 382.29507446 33722 7.34749985 -196.39663696 33732 13.31029987 325.72793579 33741 36.95719910 118.55467987 33750 123.86509705 8.77504635 3376end 3377ecp "Uuh_CRENBS ECP" 3378Uuh nelec 78 3379Uuh ul 33802 0.93030000 -0.15050000 33812 2.67680001 -4.73733091 33822 6.25439978 -32.93474197 33832 14.82999992 -88.56649780 33842 43.39020157 -265.30075073 33852 132.25900269 -614.82757568 33861 422.11309814 -82.20145416 3387Uuh S 33882 0.63859999 -10.54008961 33892 0.73049998 28.55643272 33902 0.88620001 -25.29260063 33912 1.97019994 49.59922409 33922 3.02950001 -127.41321564 33932 5.68370008 350.95190430 33942 11.28820038 -293.06002808 33951 19.75419998 174.23934937 33960 119.14099884 13.04771233 3397Uuh P 33982 1.12469995 21.16830826 33992 1.35169995 -71.95942688 34002 1.83969998 144.23898315 34012 2.75410008 -260.10055542 34022 4.53429985 541.99749756 34032 7.84359980 -596.33349609 34042 14.99720001 782.45031738 34051 53.47399902 46.66503525 34060 40.44380188 14.83128643 3407Uuh D 34082 0.83080000 16.37369156 34092 0.98269999 -49.79352951 34102 1.36889994 104.08026886 34112 2.02719998 -197.51522827 34122 3.28390002 390.68508911 34132 5.64219999 -442.16558838 34142 10.50689983 542.01904297 34151 34.19219971 98.68711090 34160 66.91400146 11.40905094 3417Uuh F 34182 1.49870002 57.57807159 34192 1.76559997 -183.66070557 34202 2.39439988 374.72534180 34212 3.55279994 -490.56604004 34222 5.67159987 547.35198975 34232 9.34370041 -282.56362915 34242 17.16390038 423.43237305 34251 46.38479996 125.18007660 34260 150.75880432 8.72504807 3427end 3428ecp "Uus_CRENBS ECP" 3429Uus nelec 78 3430Uus ul 34312 0.83279997 -0.09704300 34322 2.48749995 -3.42233706 34332 5.94259977 -29.06352615 34342 14.11429977 -86.28018951 34352 41.71440125 -251.82929993 34362 125.29509735 -590.41577148 34371 400.27249146 -81.46412659 3438Uus S 34392 0.54890001 -6.25523996 34402 0.57130003 7.35599804 34412 1.44229996 -21.35101318 34422 1.98839998 63.48963547 34432 3.21560001 -134.17686462 34442 5.90840006 361.62197876 34452 11.64379978 -282.31219482 34461 19.94540024 171.54989624 34470 115.80509949 13.14971733 3448Uus P 34492 1.15180004 21.18553162 34502 1.36679995 -67.26622772 34512 1.84979999 126.32896423 34522 2.78169990 -224.59350586 34532 4.58650017 472.64138794 34542 7.89410019 -462.93554688 34552 15.39439964 646.97424316 34561 42.37390137 34.98094940 34570 36.06589890 15.35738277 3458Uus D 34592 0.89529997 17.42450523 34602 1.06060004 -56.32180786 34612 1.43690002 111.49426270 34622 2.12800002 -202.38909912 34632 3.42580009 401.89669800 34642 5.80219984 -447.32867432 34652 10.64169979 547.99890137 34661 41.71540070 156.44458008 34670 164.29649353 11.15351486 3468Uus F 34692 0.97049999 -26.66995239 34702 1.15450001 88.51429749 34712 1.57350004 -176.85740662 34722 2.38840008 341.51602173 34732 3.88280010 -443.15469360 34742 6.81619978 505.21920776 34752 13.28100014 -203.25521851 34761 21.79229927 116.87652588 34770 94.37339783 8.44138241 3478end 3479