1************************************************************************ 2* * 3* Effective Core Potentials * 4* Valence basis set corresponding to pseudo basis * 5* * 6************************************************************************ 7A 13 8$ O-ALUMINIUM(+3) ECP-MWB-DZ 9$ S TYPE FUNCTIONS 10 4 2 0 11 2.78633700 -0.04641100 0.00000000 12 1.14363500 0.27054300 0.00000000 13 0.17002700 -0.62523400 0.00000000 14 0.06732400 0.00000000 0.50841900 15$ P TYPE FUNCTIONS 16 4 2 0 17 0.98379400 0.05203600 0.00000000 18 0.35824500 -0.15509400 0.00000000 19 0.13815800 -0.53258400 0.00000000 20 0.04497500 0.00000000 -0.46398900 21A 51 22$ O-ANTIMONY(+5) ECP-MWB-DZ 23$ S TYPE FUNCTIONS 24 4 2 0 25 2.22079900 0.25671300 0.00000000 26 1.26783800 -0.66901100 0.00000000 27 0.26095600 0.64646000 0.00000000 28 0.10006600 0.00000000 1.00000000 29$ P TYPE FUNCTIONS 30 4 2 0 31 2.14934900 0.10891500 0.00000000 32 1.43421200 -0.25139700 0.00000000 33 0.24263100 0.57394700 0.00000000 34 0.02780533 0.00000000 1.00000000 35A 33 36$ O-ARSENIC(+5) ECP-MWB-DZ 37$ S TYPE FUNCTIONS 38 4 2 0 39 3.43147400 0.14816600 0.00000000 40 1.89686600 -0.44989000 0.00000000 41 0.29444900 0.69568300 0.00000000 42 0.11189600 0.00000000 1.00000000 43$ P TYPE FUNCTIONS 44 4 2 0 45 1.29644700 -0.36995400 0.00000000 46 0.94997100 0.37321400 0.00000000 47 0.25442100 0.60030400 0.00000000 48 0.08759300 0.00000000 1.00000000 49A 56 50$ O-BARIUM(+10) ECP-MWB-5s5p 51$ S TYPE FUNCTIONS 52 6 5 0 53 2.39619000 -5.92889500 0.00000000 0.00000000 0.00000000 0.00000000 54 2.24330500 6.64693400 0.00000000 0.00000000 0.00000000 0.00000000 55 0.71740200 0.00000000 -0.55143700 0.00000000 0.00000000 0.00000000 56 0.27844600 0.00000000 0.00000000 -0.56880300 0.00000000 0.00000000 57 0.04318800 0.00000000 0.00000000 0.00000000 0.68160800 0.00000000 58 0.01979800 0.00000000 0.00000000 0.00000000 0.00000000 0.01516600 59$ P TYPE FUNCTIONS 60 6 5 0 61 2.92674200 0.76335900 0.00000000 0.00000000 0.00000000 0.00000000 62 2.52071800 -1.02201400 0.00000000 0.00000000 0.00000000 0.00000000 63 0.52409500 0.00000000 0.64983600 0.00000000 0.00000000 0.00000000 64 0.20342800 0.00000000 0.00000000 0.52844600 0.00000000 0.00000000 65 0.04799600 0.00000000 0.00000000 0.00000000 0.60972900 0.00000000 66 0.02009500 0.00000000 0.00000000 0.00000000 0.00000000 0.51559100 67A 83 68$ O-BISMUTH(+5) ECP-MWB-DZ 69$ S TYPE FUNCTIONS 70 4 2 0 71 1.42538800 0.07600800 0.00000000 72 0.98491400 -0.45740800 0.00000000 73 0.25251400 0.70218400 0.00000000 74 0.10061900 0.00000000 0.54384000 75$ P TYPE FUNCTIONS 76 4 2 0 77 1.51728300 0.34668200 0.00000000 78 1.25330700 -0.51331300 0.00000000 79 0.19794900 0.64845700 0.00000000 80 0.06943300 0.00000000 0.49650500 81A 5 82$ O-BORON(+3) ECP-MWB-DZ 83$ S TYPE FUNCTIONS 84 4 2 0 85 1.69056000 -0.27220800 0.00000000 86 0.98366600 0.20112800 0.00000000 87 0.25697900 0.57776300 0.00000000 88 0.09503800 0.00000000 0.46051000 89$ P TYPE FUNCTIONS 90 4 2 0 91 5.39991300 0.03494100 0.00000000 92 1.27121700 0.18683400 0.00000000 93 0.36190900 0.46846300 0.00000000 94 0.10766100 0.00000000 0.51606900 95A 35 96$ O-BROMINE(+7) ECP-MWB-DZ 97$ S TYPE FUNCTIONS 98 4 2 0 99 4.47317982 0.14909101 0.00000000 100 2.29983902 -0.50232202 0.00000000 101 0.41171700 0.72714400 0.00000000 102 0.15933400 0.00000000 1.00000000 103$ P TYPE FUNCTIONS 104 4 2 0 105 1.99108410 -0.16588199 0.00000000 106 0.97475100 0.20432699 0.00000000 107 0.35202098 0.60156298 0.00000000 108 0.11665303 0.00000000 1.00000000 109A 48 110$ O-CADMIUM(+20) ECP-MWB-5s5p2d 111$ S TYPE FUNCTIONS 112 7 5 0 113 9.72701100 -1.78642590 0.00000000 0.00000000 0.00000000 0.00000000 114 7.83752300 2.57789480 0.00000000 0.00000000 0.00000000 0.00000000 115 5.08919400 0.16011710 0.00000000 0.00000000 0.00000000 0.00000000 116 1.55332600 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 117 0.71407900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 118 0.15078400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 119 0.05746700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 120$ P TYPE FUNCTIONS 121 7 5 0 122 4.74271600 -6.23119940 0.00000000 0.00000000 0.00000000 0.00000000 123 3.93665500 6.57419200 0.00000000 0.00000000 0.00000000 0.00000000 124 1.38039100 0.16011710 0.74972650 0.00000000 0.00000000 0.00000000 125 0.66848500 0.00000000 0.28110820 0.00000000 0.00000000 0.00000000 126 0.36342300 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 127 0.10625300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 128 0.03664400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 129$ D TYPE FUNCTIONS 130 5 2 0 131 8.46934100 -0.01636060 0.00000000 132 3.02423100 0.28647280 0.00000000 133 1.31636700 0.48685180 0.74972650 134 0.55639300 0.37941110 0.28110820 135 0.22385600 0.00000000 1.00000000 136A 20 137$ O-CALCIUM(+10) ECP-MWB-5s5p3d 138$ S TYPE FUNCTIONS 139 6 5 0 140 12.30752100 0.05874000 0.00000000 0.00000000 0.00000000 0.00000000 141 4.39315100 -0.40134400 0.00000000 0.00000000 0.00000000 0.00000000 142 0.93797500 0.00000000 0.59287500 0.00000000 0.00000000 0.00000000 143 0.42168800 0.00000000 0.00000000 -0.22361600 0.00000000 0.00000000 144 0.05801700 0.00000000 0.00000000 0.00000000 0.77588600 0.00000000 145 0.02322200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 146$ P TYPE FUNCTIONS 147 6 5 0 148 5.97428600 -0.08230200 0.00000000 0.00000000 0.00000000 0.00000000 149 1.56740600 0.34651100 0.00000000 0.00000000 0.00000000 0.00000000 150 0.65624200 0.00000000 0.56014700 0.00000000 0.00000000 0.00000000 151 0.25849800 0.00000000 0.00000000 0.22877300 0.00000000 0.00000000 152 0.08100000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 153 0.03000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 154$ D TYPE FUNCTIONS 155 5 3 0 156 7.23170000 0.05036000 0.00000000 0.00000000 157 1.96486900 0.17334300 0.00000000 0.00000000 158 0.62030300 0.30197800 0.56014700 0.00000000 159 0.18126000 0.00000000 0.43805500 0.22877300 160 0.04910700 0.00000000 0.00000000 0.46472000 161A 6 162$ O-CARBON(+4) ECP-MWB-DZ 163$ S TYPE FUNCTIONS 164 4 2 0 165 2.26310100 0.49654800 0.00000000 166 1.77318600 -0.42239100 0.00000000 167 0.40861900 -0.59935600 0.00000000 168 0.13917500 0.00000000 1.00000000 169$ P TYPE FUNCTIONS 170 4 2 0 171 8.38302500 -0.03854400 0.00000000 172 1.99313200 -0.20318500 0.00000000 173 0.55954300 -0.49817600 0.00000000 174 0.15612600 0.00000000 0.48114300 175A 55 176$ O-CESIUM(+9) ECP-MWB-4s4p1d 177$ S TYPE FUNCTIONS 178 6 4 0 179 2.68701300 0.63613200 0.00000000 0.00000000 0.00000000 180 1.92071100 -1.15558600 0.00000000 0.00000000 0.00000000 181 0.46280100 0.64974300 0.00000000 0.00000000 0.00000000 182 0.20583100 0.00000000 -0.31845300 0.00000000 0.00000000 183 0.02502100 0.00000000 0.00000000 0.56564700 0.00000000 184 0.00984900 0.00000000 0.00000000 0.00000000 0.55531300 185$ P TYPE FUNCTIONS 186 6 4 0 187 3.15263000 0.17280300 0.00000000 0.00000000 0.00000000 188 2.11148500 -0.38591600 0.00000000 0.00000000 0.00000000 189 0.44336300 0.63523900 0.00000000 0.00000000 0.00000000 190 0.16386000 0.00000000 0.52336000 0.00000000 0.00000000 191 0.02900000 0.00000000 0.00000000 1.00000000 0.00000000 192 0.01200000 0.00000000 0.00000000 0.00000000 1.00000000 193$ D TYPE FUNCTIONS 194 1 1 0 195 0.35300000 1.00000000 196A 17 197$ O-CHLORINE(+7) ECP-MWB-DZ 198$ S TYPE FUNCTIONS 199 4 2 0 200 13.32240500 -0.02134900 0.00000000 201 2.33363000 0.29398500 0.00000000 202 0.52646300 -0.65342800 0.00000000 203 0.19094900 0.00000000 -0.53519300 204$ P TYPE FUNCTIONS 205 4 2 0 206 2.75093600 -0.07105900 0.00000000 207 1.13597400 0.22167100 0.00000000 208 0.42523500 0.55745600 0.00000000 209 0.14244900 0.00000000 0.39080700 210A 24 211$ O-CHROMIUM(+14) ECP-MDF-5s5p2d 212$ S TYPE FUNCTIONS 213 7 5 0 214 14.05345000 0.88562400 0.00000000 0.00000000 0.00000000 0.00000000 215 11.73521800 -1.03013200 0.00000000 0.00000000 0.00000000 0.00000000 216 5.90491500 -0.82672900 0.00000000 0.00000000 0.00000000 0.00000000 217 1.63466500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 218 0.66293100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 219 0.09780000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 220 0.03770500 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 221$ P TYPE FUNCTIONS 222 7 5 0 223 51.31766400 0.02967200 0.00000000 0.00000000 0.00000000 0.00000000 224 9.32149800 -1.01276000 0.00000000 0.00000000 0.00000000 0.00000000 225 3.74112100 -0.82672900 0.25774600 0.00000000 0.00000000 0.00000000 226 1.51021400 0.00000000 0.78591700 0.00000000 0.00000000 0.00000000 227 0.53795600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 228 0.09340800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 229 0.02664500 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 230$ D TYPE FUNCTIONS 231 5 2 0 232 26.78143900 0.03497000 0.00000000 233 8.23164000 0.17219500 0.00000000 234 2.78164500 0.42703200 0.25774600 235 0.90367800 0.59293900 0.78591700 236 0.24925800 0.00000000 1.00000000 237A 27 238$ O-COBALT(+17) ECP-MDF-5s4p2d 239$ S TYPE FUNCTIONS 240 7 5 0 241 20.90800100 0.39805300 0.00000000 0.00000000 0.00000000 0.00000000 242 13.90623400 -0.64905200 0.00000000 0.00000000 0.00000000 0.00000000 243 7.32854300 -0.72345300 0.00000000 0.00000000 0.00000000 0.00000000 244 2.13632400 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 245 0.85282200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 246 0.10669200 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 247 0.03934600 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 248$ P TYPE FUNCTIONS 249 6 4 0 250 67.03444300 0.02937000 0.00000000 0.00000000 0.00000000 251 13.26233400 -1.01362600 0.00000000 0.00000000 0.00000000 252 5.96065000 -0.72345300 0.20386500 0.00000000 0.00000000 253 2.27194000 0.00000000 0.83364500 0.00000000 0.00000000 254 0.78891100 0.00000000 0.00000000 1.00000000 0.00000000 255 0.11835500 0.00000000 0.00000000 0.00000000 1.00000000 256$ D TYPE FUNCTIONS 257 5 2 0 258 36.84052000 0.03805600 0.00000000 259 11.17367500 0.18892500 0.00000000 260 3.79756400 0.44105100 0.20386500 261 1.23926200 0.56569700 0.83364500 262 0.33940000 0.00000000 1.00000000 263A 29 264$ O-COPPER(+19) ECP-MDF-5s5p2d 265$ S TYPE FUNCTIONS 266 7 5 0 267 27.69632000 0.23113200 0.00000000 0.00000000 0.00000000 0.00000000 268 13.50535000 -0.65681100 0.00000000 0.00000000 0.00000000 0.00000000 269 8.81535500 -0.54587500 0.00000000 0.00000000 0.00000000 0.00000000 270 2.38080500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 271 0.95261600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 272 0.11266200 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 273 0.04048600 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 274$ P TYPE FUNCTIONS 275 7 5 0 276 93.50432700 0.02282900 0.00000000 0.00000000 0.00000000 0.00000000 277 16.28546400 -1.00951300 0.00000000 0.00000000 0.00000000 0.00000000 278 5.99423600 -0.54587500 0.24645000 0.00000000 0.00000000 0.00000000 279 2.53687500 0.00000000 0.79202400 0.00000000 0.00000000 0.00000000 280 0.89793400 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 281 0.13172900 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 282 0.03087800 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 283$ D TYPE FUNCTIONS 284 5 2 0 285 41.22500600 0.04469400 0.00000000 286 12.34325000 0.21210600 0.00000000 287 4.20192000 0.45342300 0.24645000 288 1.37982500 0.53346500 0.79202400 289 0.38345300 0.00000000 1.00000000 290A 9 291$ O-FLUORINE(+7) ECP-MWB-DZ 292$ S TYPE FUNCTIONS 293 4 2 0 294 7.17643900 -0.23988300 0.00000000 295 3.81548400 0.15202600 0.00000000 296 1.02788200 0.61370900 0.00000000 297 0.33612800 0.00000000 0.44408100 298$ P TYPE FUNCTIONS 299 4 2 0 300 22.09520700 0.05226600 0.00000000 301 4.96809300 0.23451700 0.00000000 302 1.36211400 0.50226500 0.00000000 303 0.35332100 0.00000000 0.46140900 304A 31 305$ O-GALLIUM(+3) ECP-MWB-DZ 306$ S TYPE FUNCTIONS 307 4 2 0 308 2.28780800 0.13111900 0.00000000 309 1.27332200 -0.40290400 0.00000000 310 0.20316800 0.63141700 0.00000000 311 0.07426200 0.00000000 0.53481900 312$ P TYPE FUNCTIONS 313 4 2 0 314 0.93901900 0.16364700 0.00000000 315 0.59020500 -0.18687000 0.00000000 316 0.15876100 -0.52722300 0.00000000 317 0.02339300 0.00000000 1.00000000 318A 32 319$ O-GERMANIUM(+4) ECP-MWB-DZ 320$ S TYPE FUNCTIONS 321 4 2 0 322 3.24729100 0.21078900 0.00000000 323 1.92920500 -0.49507400 0.00000000 324 0.23356500 0.70199400 0.00000000 325 0.08780700 0.00000000 1.00000000 326$ P TYPE FUNCTIONS 327 4 2 0 328 1.29018200 0.17841500 0.00000000 329 0.68428900 -0.19291200 0.00000000 330 0.20033900 -0.57755500 0.00000000 331 0.06672700 0.00000000 1.00000000 332A 79 333$ O-GOLD(+19) ECP-MWB-5s5p2d 334$ S TYPE FUNCTIONS 335 7 5 0 336 20.11529900 -0.15976140 0.00000000 0.00000000 0.00000000 0.00000000 337 12.19347700 0.78935590 0.00000000 0.00000000 0.00000000 0.00000000 338 6.03962600 -1.57140570 0.00000000 0.00000000 0.00000000 0.00000000 339 1.37372100 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 340 0.65001000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 341 0.14581600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 342 0.05148400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 343$ P TYPE FUNCTIONS 344 7 5 0 345 8.60966500 2.09822310 0.00000000 0.00000000 0.00000000 0.00000000 346 7.33532600 -3.04586700 0.00000000 0.00000000 0.00000000 0.00000000 347 1.91297000 -1.57140570 0.37914520 0.00000000 0.00000000 0.00000000 348 1.05769500 0.00000000 0.64564280 0.00000000 0.00000000 0.00000000 349 0.44306000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 350 0.09011400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 351 0.02681100 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 352$ D TYPE FUNCTIONS 353 5 2 0 354 4.14394900 -0.40584580 0.00000000 355 3.56825700 0.42750700 0.00000000 356 1.34432400 0.47554050 0.37914520 357 0.55528900 0.56109720 0.64564280 358 0.18967500 0.00000000 1.00000000 359A 72 360$ O-HAFNIUM(+12) ECP-MWB-5s4p2d 361$ S TYPE FUNCTIONS 362 7 5 0 363 14.59248500 -0.79934440 0.00000000 0.00000000 0.00000000 0.00000000 364 11.54749100 1.52015480 0.00000000 0.00000000 0.00000000 0.00000000 365 4.91119400 -1.64536400 0.00000000 0.00000000 0.00000000 0.00000000 366 0.80851800 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 367 0.35028500 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 368 0.10128200 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 369 0.03933600 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 370$ P TYPE FUNCTIONS 371 6 4 0 372 6.72653100 3.26625490 0.00000000 0.00000000 0.00000000 373 5.95997900 -4.20156280 0.00000000 0.00000000 0.00000000 374 1.30195800 -1.64536400 0.32434240 0.00000000 0.00000000 375 0.69313600 0.00000000 0.70101450 0.00000000 0.00000000 376 0.27975900 0.00000000 0.00000000 1.00000000 0.00000000 377 0.07769500 0.00000000 0.00000000 0.00000000 1.00000000 378$ D TYPE FUNCTIONS 379 5 2 0 380 3.72164100 -0.05916200 0.00000000 381 1.58412000 0.14951390 0.00000000 382 0.63351000 0.43731370 0.32434240 383 0.23056400 0.58875870 0.70101450 384 0.07495100 0.00000000 1.00000000 385A 49 386$ O-INDIUM(+3) ECP-MWB-DZP 387$ S TYPE FUNCTIONS 388 4 2 0 389 1.53256200 0.26177400 0.00000000 390 0.94426900 -0.62540600 0.00000000 391 0.17673300 0.65130400 0.00000000 392 0.06434300 0.00000000 1.00000000 393$ P TYPE FUNCTIONS 394 4 2 0 395 0.64147400 0.21110300 0.00000000 396 0.34273900 -0.24302900 0.00000000 397 0.10954600 -0.56019100 0.00000000 398 0.03895800 0.00000000 1.00000000 399$ D TYPE FUNCTIONS 400 1 1 0 401 0.16000000 1.00000000 402A 53 403$ O-IODINE(+7) ECP-MWB-DZ 404$ S TYPE FUNCTIONS 405 4 2 0 406 2.99612200 0.19818700 0.00000000 407 1.53004300 -0.61653600 0.00000000 408 0.30497900 0.73062700 0.00000000 409 0.12996900 0.00000000 0.51342800 410$ P TYPE FUNCTIONS 411 4 2 0 412 1.03491900 -0.34015500 0.00000000 413 0.57383300 0.44188400 0.00000000 414 0.20306300 0.60434400 0.00000000 415 0.07909900 0.00000000 0.28894900 416A 77 417$ O-IRIDIUM(+17) ECP-MWB-5s4p2d 418$ S TYPE FUNCTIONS 419 7 5 0 420 15.29370900 -1.67503390 0.00000000 0.00000000 0.00000000 0.00000000 421 13.57368200 2.39346480 0.00000000 0.00000000 0.00000000 0.00000000 422 5.81627400 -1.65049790 0.00000000 0.00000000 0.00000000 0.00000000 423 1.19552100 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 424 0.56577600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 425 0.14052700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 426 0.05082000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 427$ P TYPE FUNCTIONS 428 6 4 0 429 8.66979600 0.86771420 0.00000000 0.00000000 0.00000000 430 6.24561400 -1.81448260 0.00000000 0.00000000 0.00000000 431 1.96638400 -1.65049790 0.27094540 0.00000000 0.00000000 432 1.02020600 0.00000000 0.75404430 0.00000000 0.00000000 433 0.40658000 0.00000000 0.00000000 1.00000000 0.00000000 434 0.09011600 0.00000000 0.00000000 0.00000000 1.00000000 435$ D TYPE FUNCTIONS 436 5 2 0 437 3.69948500 -0.59731040 0.00000000 438 3.36174300 0.61122520 0.00000000 439 1.17452500 0.47329390 0.27094540 440 0.47017600 0.57553020 0.75404430 441 0.15767800 0.00000000 1.00000000 442A 26 443$ O-IRON(+16) ECP-MDF-5s4p2d 444$ S TYPE FUNCTIONS 445 7 5 0 446 20.51302800 0.23471400 0.00000000 0.00000000 0.00000000 0.00000000 447 9.77679200 -0.87752700 0.00000000 0.00000000 0.00000000 0.00000000 448 4.57359900 -0.34163600 0.00000000 0.00000000 0.00000000 0.00000000 449 1.94991000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 450 0.76648800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 451 0.10079800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 452 0.03751600 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 453$ P TYPE FUNCTIONS 454 6 4 0 455 63.12532600 0.02714700 0.00000000 0.00000000 0.00000000 456 11.65685500 -1.01187500 0.00000000 0.00000000 0.00000000 457 5.17866100 -0.34163600 0.21516800 0.00000000 0.00000000 458 2.03553200 0.00000000 0.82509500 0.00000000 0.00000000 459 0.70881800 0.00000000 0.00000000 1.00000000 0.00000000 460 0.11016800 0.00000000 0.00000000 0.00000000 1.00000000 461$ D TYPE FUNCTIONS 462 5 2 0 463 33.66679000 0.03652900 0.00000000 464 10.23569500 0.18282500 0.00000000 465 3.46648800 0.43706900 0.21516800 466 1.12729600 0.57517800 0.82509500 467 0.30824700 0.00000000 1.00000000 468A 36 469$ O-KRYPTON(+8) ECP-MWB-4s4p1d 470$ S TYPE FUNCTIONS 471 6 4 0 472 35.40296100 0.02049500 0.00000000 0.00000000 0.00000000 473 15.66508900 -0.09918800 0.00000000 0.00000000 0.00000000 474 6.24771100 1.07205100 0.00000000 0.00000000 0.00000000 475 2.39424600 0.00000000 1.00000000 0.00000000 0.00000000 476 0.45348900 0.00000000 0.00000000 1.00000000 0.00000000 477 0.17215800 0.00000000 0.00000000 0.00000000 1.00000000 478$ P TYPE FUNCTIONS 479 6 4 0 480 23.02908500 0.00562500 0.00000000 0.00000000 0.00000000 481 9.50309200 -0.07505100 0.00000000 0.00000000 0.00000000 482 2.84246100 1.04568900 0.00000000 0.00000000 0.00000000 483 0.68929300 0.00000000 1.00000000 0.00000000 0.00000000 484 0.28513600 0.00000000 0.00000000 1.00000000 0.00000000 485 0.10878200 0.00000000 0.00000000 0.00000000 1.00000000 486$ D TYPE FUNCTIONS 487 1 1 0 488 0.48780000 1.00000000 489A 82 490$ O-LEAD(+4) ECP-MWB-DZ 491$ S TYPE FUNCTIONS 492 4 2 0 493 1.30517500 1.01040200 0.00000000 494 1.13528200 -1.40235500 0.00000000 495 0.20277100 0.79337200 0.00000000 496 0.08179600 0.00000000 0.44489800 497$ P TYPE FUNCTIONS 498 4 2 0 499 1.44168400 0.14562600 0.00000000 500 0.97714300 -0.31986300 0.00000000 501 0.19450500 0.55369000 0.00000000 502 0.06271000 0.00000000 0.60104600 503A 3 504$ O-LITHIUM(+1) ECP-SDF-DZ 505$ S TYPE FUNCTIONS 506 4 2 0 507 3.04732704 0.00655500 0.00000000 508 0.60357898 -0.14040101 0.00000000 509 0.06913799 0.62375599 0.00000000 510 0.02650200 0.00000000 1.00000000 511$ P TYPE FUNCTIONS 512 4 2 0 513 0.83715802 0.04350700 0.00000000 514 0.17194098 0.22964901 0.00000000 515 0.05207900 0.56294900 0.00000000 516 0.01917200 0.00000000 1.00000000 517A 12 518$ O-MAGNESIUM(+2) ECP-SDF-2s1p 519$ S TYPE FUNCTIONS 520 3 2 0 521 1.61669000 0.14113800 0.00000000 522 1.11015700 -0.30259300 0.00000000 523 0.07033300 0.00000000 1.00000000 524$ P TYPE FUNCTIONS 525 1 1 0 526 0.07642700 1.00000000 527A 25 528$ O-MANGANESE(+15) ECP-MDF-5s5p2d 529$ S TYPE FUNCTIONS 530 7 5 0 531 15.56400100 1.09978900 0.00000000 0.00000000 0.00000000 0.00000000 532 13.28692800 -1.30585100 0.00000000 0.00000000 0.00000000 0.00000000 533 6.13728100 -0.76802400 0.00000000 0.00000000 0.00000000 0.00000000 534 1.76598300 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 535 0.71377400 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 536 0.09832800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 537 0.03709700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 538$ P TYPE FUNCTIONS 539 7 5 0 540 27.43206100 0.08385100 0.00000000 0.00000000 0.00000000 0.00000000 541 11.36687300 -1.06496500 0.00000000 0.00000000 0.00000000 0.00000000 542 4.45254000 -0.76802400 0.20265200 0.00000000 0.00000000 0.00000000 543 1.85345900 0.00000000 0.83175400 0.00000000 0.00000000 0.00000000 544 0.64518000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 545 0.10304400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 546 0.02829600 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 547$ D TYPE FUNCTIONS 548 5 2 0 549 29.51422300 0.03716200 0.00000000 550 8.96282400 0.18274500 0.00000000 551 3.02796700 0.43560700 0.20265200 552 0.98329200 0.57705300 0.83175400 553 0.27032500 0.00000000 1.00000000 554A 80 555$ O-MERCURY(+20) ECP-MWB-5p2d 556$ P TYPE FUNCTIONS 557 7 5 0 558 9.77299000 0.88553690 0.00000000 0.00000000 0.00000000 0.00000000 559 7.16909500 -1.83645640 0.00000000 0.00000000 0.00000000 0.00000000 560 1.86800900 0.00000000 0.49042670 0.00000000 0.00000000 0.00000000 561 0.97330100 0.00000000 0.54156300 0.00000000 0.00000000 0.00000000 562 0.42199700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 563 0.12521300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 564 0.04019000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 565$ D TYPE FUNCTIONS 566 5 2 0 567 4.91144700 -0.14285670 0.00000000 568 3.04955000 0.19881720 0.00000000 569 1.34450100 0.48854010 0.49042670 570 0.57661800 0.51434470 0.54156300 571 0.21024500 0.00000000 1.00000000 572A 42 573$ O-MOLYBDENUM(+14) ECP-MWB-5s4p2d 574$ S TYPE FUNCTIONS 575 7 5 0 576 7.20338000 -0.82629730 0.00000000 0.00000000 0.00000000 0.00000000 577 5.05229500 1.46756160 0.00000000 0.00000000 0.00000000 0.00000000 578 2.91353300 0.31895490 0.00000000 0.00000000 0.00000000 0.00000000 579 1.02899300 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 580 0.46953400 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 581 0.11001400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 582 0.04611500 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 583$ P TYPE FUNCTIONS 584 6 4 0 585 3.15186600 -4.73814350 0.00000000 0.00000000 0.00000000 586 2.45348200 5.01904000 0.00000000 0.00000000 0.00000000 587 0.87877300 0.31895490 0.74936290 0.00000000 0.00000000 588 0.49079100 0.00000000 0.27056970 0.00000000 0.00000000 589 0.28471400 0.00000000 0.00000000 1.00000000 0.00000000 590 0.07118200 0.00000000 0.00000000 0.00000000 1.00000000 591$ D TYPE FUNCTIONS 592 5 2 0 593 5.03477000 -0.02394300 0.00000000 594 1.80214900 0.21945760 0.00000000 595 0.80725000 0.46117140 0.74936290 596 0.33900500 0.46712100 0.27056970 597 0.12834200 0.00000000 1.00000000 598A 28 599$ O-NICKEL(+18) ECP-MDF-5s5p2d 600$ S TYPE FUNCTIONS 601 7 5 0 602 23.45799100 0.34542400 0.00000000 0.00000000 0.00000000 0.00000000 603 14.86939200 -0.59501200 0.00000000 0.00000000 0.00000000 0.00000000 604 8.05415400 -0.72484900 0.00000000 0.00000000 0.00000000 0.00000000 605 2.31982400 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 606 0.92346200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 607 0.10995500 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 608 0.04013400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 609$ P TYPE FUNCTIONS 610 7 5 0 611 78.03878000 0.02700800 0.00000000 0.00000000 0.00000000 0.00000000 612 14.77444000 -1.01208100 0.00000000 0.00000000 0.00000000 0.00000000 613 6.15135200 -0.72484900 0.20219500 0.00000000 0.00000000 0.00000000 614 2.49642100 0.00000000 0.83392000 0.00000000 0.00000000 0.00000000 615 0.86670200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 616 0.12649900 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 617 0.03178400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 618$ D TYPE FUNCTIONS 619 5 2 0 620 40.78904800 0.03842500 0.00000000 621 12.34760100 0.19149800 0.00000000 622 4.20704900 0.44307500 0.20219500 623 1.37541300 0.56121600 0.83392000 624 0.09000000 0.00000000 1.00000000 625A 41 626$ O-NIOBIUM(+13) ECP-MWB-5s4p2d 627$ S TYPE FUNCTIONS 628 7 5 0 629 6.56630100 -0.85826540 0.00000000 0.00000000 0.00000000 0.00000000 630 4.58643800 1.30416720 0.00000000 0.00000000 0.00000000 0.00000000 631 3.75377000 0.50690430 0.00000000 0.00000000 0.00000000 0.00000000 632 0.88987100 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 633 0.40713800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 634 0.09427100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 635 0.03987900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 636$ P TYPE FUNCTIONS 637 6 4 0 638 3.07006300 -3.90443150 0.00000000 0.00000000 0.00000000 639 2.23796400 4.06880700 0.00000000 0.00000000 0.00000000 640 0.85225500 0.50690430 0.67139100 0.00000000 0.00000000 641 0.50443600 0.00000000 0.34743650 0.00000000 0.00000000 642 0.26680000 0.00000000 0.00000000 1.00000000 0.00000000 643 0.06873200 0.00000000 0.00000000 0.00000000 1.00000000 644$ D TYPE FUNCTIONS 645 5 2 0 646 4.05356300 -0.02042010 0.00000000 647 1.65260000 0.20898540 0.00000000 648 0.70685900 0.47055150 0.67139100 649 0.28636700 0.47588600 0.34743650 650 0.10875700 0.00000000 1.00000000 651A 7 652$ O-NITROGEN(+5) ECP-MWB-DZ 653$ S TYPE FUNCTIONS 654 4 2 0 655 32.65683900 -0.01379400 0.00000000 656 4.58918900 0.12912900 0.00000000 657 0.70625100 -0.56809400 0.00000000 658 0.21639900 0.00000000 1.00000000 659$ P TYPE FUNCTIONS 660 4 2 0 661 12.14697400 -0.04129600 0.00000000 662 2.88426500 -0.21400900 0.00000000 663 0.80856400 -0.50278300 0.00000000 664 0.22216300 0.00000000 1.00000000 665A 76 666$ O-OSMIUM(+16) ECP-MWB-5s4p2d 667$ S TYPE FUNCTIONS 668 7 5 0 669 15.28673600 -1.06641470 0.00000000 0.00000000 0.00000000 0.00000000 670 12.70063800 1.84307610 0.00000000 0.00000000 0.00000000 0.00000000 671 5.68729500 -1.70590020 0.00000000 0.00000000 0.00000000 0.00000000 672 1.11808700 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 673 0.52073300 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 674 0.13637800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 675 0.04959200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 676$ P TYPE FUNCTIONS 677 6 4 0 678 7.93627900 1.41904520 0.00000000 0.00000000 0.00000000 679 6.30364100 -2.36244950 0.00000000 0.00000000 0.00000000 680 1.97032300 -1.70590020 0.20640200 0.00000000 0.00000000 681 1.02054700 0.00000000 0.81429590 0.00000000 0.00000000 682 0.40059300 0.00000000 0.00000000 1.00000000 0.00000000 683 0.08712700 0.00000000 0.00000000 0.00000000 1.00000000 684$ D TYPE FUNCTIONS 685 5 2 0 686 3.58081500 -0.46708080 0.00000000 687 3.19616500 0.47948060 0.00000000 688 1.10582500 0.46491470 0.20640200 689 0.43603200 0.58935760 0.81429590 690 0.14433200 0.00000000 1.00000000 691A 8 692$ O-OXYGEN(+6) ECP-MWB-DZ 693$ S TYPE FUNCTIONS 694 4 2 0 695 47.10551900 -0.01440800 0.00000000 696 5.91134600 0.12956800 0.00000000 697 0.97648300 -0.56311800 0.00000000 698 0.29607000 0.00000000 1.00000000 699$ P TYPE FUNCTIONS 700 4 2 0 701 16.69221800 0.04485600 0.00000000 702 3.90070200 0.22613000 0.00000000 703 1.07825300 0.50018800 0.00000000 704 0.28418900 0.00000000 1.00000000 705A 46 706$ O-PALLADIUM(+18) ECP-MWB-5s4p2d 707$ S TYPE FUNCTIONS 708 7 5 0 709 8.47564000 -2.16424970 0.00000000 0.00000000 0.00000000 0.00000000 710 7.16571700 2.89282860 0.00000000 0.00000000 0.00000000 0.00000000 711 3.18211000 0.23395640 0.00000000 0.00000000 0.00000000 0.00000000 712 1.40635700 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 713 0.62392100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 714 0.12330300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 715 0.04936000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 716$ P TYPE FUNCTIONS 717 6 4 0 718 4.24609700 -5.25030250 0.00000000 0.00000000 0.00000000 719 3.39259400 5.55278500 0.00000000 0.00000000 0.00000000 720 1.21618500 0.23395640 0.75773150 0.00000000 0.00000000 721 0.63962400 0.00000000 0.26600460 0.00000000 0.00000000 722 0.37265700 0.00000000 0.00000000 1.00000000 0.00000000 723 0.07917500 0.00000000 0.00000000 0.00000000 1.00000000 724$ D TYPE FUNCTIONS 725 5 2 0 726 7.16961200 -0.01850040 0.00000000 727 2.56126300 0.27696900 0.00000000 728 1.10966900 0.48590350 0.75773150 729 0.46229600 0.39306510 0.26600460 730 0.18152500 0.00000000 1.00000000 731A 15 732$ O-PHOSPHORUS(+5) ECP-MWB-DZ 733$ S TYPE FUNCTIONS 734 4 2 0 735 6.72230800 -0.03245500 0.00000000 736 1.62406300 0.28505600 0.00000000 737 0.33192900 -0.64691400 0.00000000 738 0.12081900 0.00000000 1.00000000 739$ P TYPE FUNCTIONS 740 4 2 0 741 1.28322100 -0.05596200 0.00000000 742 0.59972500 0.28636300 0.00000000 743 0.22775900 0.55225700 0.00000000 744 0.08442400 0.00000000 1.00000000 745A 78 746$ O-PLATINUM(+18) ECP-MWB-6s5p3d 747$ S TYPE FUNCTIONS 748 8 6 0 749 16.55956300 -0.88494470 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 750 13.89244000 1.50112280 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 751 5.85360800 -1.55290120 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 752 1.28732000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 753 0.60473200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 754 0.14278300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 755 0.05096900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 756 0.01500000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 757$ P TYPE FUNCTIONS 758 7 5 0 759 7.92517500 4.95307570 0.00000000 0.00000000 0.00000000 0.00000000 760 7.34153800 -5.89821000 0.00000000 0.00000000 0.00000000 0.00000000 761 1.91251500 0.00000000 0.30474250 0.00000000 0.00000000 0.00000000 762 1.07154500 0.00000000 0.71648940 0.00000000 0.00000000 0.00000000 763 0.43791700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 764 0.09362100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 765 0.02780200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 766$ D TYPE FUNCTIONS 767 6 3 0 768 3.93953100 -0.58264390 0.00000000 0.00000000 769 3.58777700 0.59225760 0.00000000 0.00000000 770 1.28623100 0.47369210 0.00000000 0.00000000 771 0.51981400 0.57652020 0.00000000 0.00000000 772 0.17471500 0.00000000 1.00000000 0.00000000 773 0.05000000 0.00000000 0.00000000 1.00000000 774A 19 775$ O-POTASSIUM(+9) ECP-MWB-4s4p1d 776$ S TYPE FUNCTIONS 777 6 4 0 778 8.31351000 0.10121500 0.00000000 0.00000000 0.00000000 779 3.79675700 -0.43179600 0.00000000 0.00000000 0.00000000 780 0.74093700 0.67493500 0.00000000 0.00000000 0.00000000 781 0.30178900 0.00000000 0.28630000 0.00000000 0.00000000 782 0.03501800 0.00000000 0.00000000 -0.72964300 0.00000000 783 0.01604900 0.00000000 0.00000000 0.00000000 -0.38022900 784$ P TYPE FUNCTIONS 785 6 4 0 786 21.66442700 0.01170600 0.00000000 0.00000000 0.00000000 787 1.11396800 0.39741600 0.00000000 0.00000000 0.00000000 788 0.47133100 0.48715800 0.00000000 0.00000000 0.00000000 789 0.19155000 0.00000000 0.22240100 0.00000000 0.00000000 790 0.04800000 0.00000000 0.00000000 1.00000000 0.00000000 791 0.01700000 0.00000000 0.00000000 0.00000000 1.00000000 792$ D TYPE FUNCTIONS 793 1 1 0 794 0.79400000 1.00000000 795A 75 796$ O-RHENIUM(+15) ECP-MWB-5s5p2d 797$ S TYPE FUNCTIONS 798 7 5 0 799 14.78186200 -1.14103820 0.00000000 0.00000000 0.00000000 0.00000000 800 12.32407500 1.93714500 0.00000000 0.00000000 0.00000000 0.00000000 801 5.49747800 -1.72327450 0.00000000 0.00000000 0.00000000 0.00000000 802 1.02605200 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 803 0.46900900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 804 0.13118400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 805 0.04785700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 806$ P TYPE FUNCTIONS 807 7 5 0 808 7.40400500 2.36983600 0.00000000 0.00000000 0.00000000 0.00000000 809 6.35020600 -3.31055420 0.00000000 0.00000000 0.00000000 0.00000000 810 1.88859900 -1.72327450 0.18219610 0.00000000 0.00000000 0.00000000 811 0.98348500 0.00000000 0.83630770 0.00000000 0.00000000 0.00000000 812 0.38341000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 813 0.07046000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 814 0.02202800 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 815$ D TYPE FUNCTIONS 816 5 2 0 817 3.43448200 -0.36267070 0.00000000 818 2.98078100 0.37616960 0.00000000 819 1.01739400 0.45783320 0.18219610 820 0.39506000 0.59957020 0.83630770 821 0.13011100 0.00000000 1.00000000 822A 45 823$ O-RHODIUM(+17) ECP-MWB-5s4p2d 824$ S TYPE FUNCTIONS 825 7 5 0 826 7.91774400 -2.41557750 0.00000000 0.00000000 0.00000000 0.00000000 827 6.84120700 3.09873820 0.00000000 0.00000000 0.00000000 0.00000000 828 2.95984000 0.28212560 0.00000000 0.00000000 0.00000000 0.00000000 829 1.33434100 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 830 0.59881000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 831 0.12189400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 832 0.04945200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 833$ P TYPE FUNCTIONS 834 6 4 0 835 4.13607900 -3.34435450 0.00000000 0.00000000 0.00000000 836 2.94628100 3.70374400 0.00000000 0.00000000 0.00000000 837 1.12230400 0.28212560 0.74622580 0.00000000 0.00000000 838 0.66617700 0.00000000 0.26988330 0.00000000 0.00000000 839 0.36574300 0.00000000 0.00000000 1.00000000 0.00000000 840 0.07668600 0.00000000 0.00000000 0.00000000 1.00000000 841$ D TYPE FUNCTIONS 842 5 2 0 843 7.03289200 -0.01616040 0.00000000 844 2.30981900 0.27639870 0.00000000 845 0.99822800 0.48500260 0.74622580 846 0.41705700 0.39301990 0.26988330 847 0.16444700 0.00000000 1.00000000 848A 44 849$ O-RUTHENIUM(+16) ECP-MWB-5s5p2d 850$ S TYPE FUNCTIONS 851 7 5 0 852 7.93657000 -1.11966560 0.00000000 0.00000000 0.00000000 0.00000000 853 5.98424500 1.44532930 0.00000000 0.00000000 0.00000000 0.00000000 854 4.88222000 0.62616530 0.00000000 0.00000000 0.00000000 0.00000000 855 1.14462400 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 856 0.52301700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 857 0.11757300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 858 0.04805000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 859$ P TYPE FUNCTIONS 860 7 5 0 861 3.75460900 -4.72265650 0.00000000 0.00000000 0.00000000 0.00000000 862 2.91657100 4.99090840 0.00000000 0.00000000 0.00000000 0.00000000 863 1.04867500 0.62616530 0.72854670 0.00000000 0.00000000 0.00000000 864 0.50732000 0.00000000 0.30390430 0.00000000 0.00000000 0.00000000 865 0.26739800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 866 0.06974800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 867 0.02292700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 868$ D TYPE FUNCTIONS 869 5 2 0 870 6.00991300 -0.03271600 0.00000000 871 2.10428000 0.26573920 0.00000000 872 0.92150000 0.48123980 0.72854670 873 0.38859800 0.40997780 0.30390430 874 0.15283600 0.00000000 1.00000000 875A 21 876$ O-SCANDIUM(+11) ECP-MWB-5s4p2d 877$ S TYPE FUNCTIONS 878 7 5 0 879 10.00926000 1.00789600 0.00000000 0.00000000 0.00000000 0.00000000 880 8.47076200 -1.17665500 0.00000000 0.00000000 0.00000000 0.00000000 881 4.17911600 -0.80264700 0.00000000 0.00000000 0.00000000 0.00000000 882 1.06920800 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 883 0.44124800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 884 0.06443200 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 885 0.02720000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 886$ P TYPE FUNCTIONS 887 6 4 0 888 41.71184600 0.02091200 0.00000000 0.00000000 0.00000000 889 6.02601500 -1.00732900 0.00000000 0.00000000 0.00000000 890 2.71599500 -0.80264700 0.25364400 0.00000000 0.00000000 891 1.05691400 0.00000000 0.79264300 0.00000000 0.00000000 892 0.37694100 0.00000000 0.00000000 1.00000000 0.00000000 893 0.07416100 0.00000000 0.00000000 0.00000000 1.00000000 894$ D TYPE FUNCTIONS 895 5 2 0 896 16.27354800 0.03555900 0.00000000 897 4.80004900 0.16935600 0.00000000 898 1.54129300 0.42044600 0.25364400 899 0.46818000 0.61731400 0.79264300 900 0.12279900 0.00000000 1.00000000 901A 34 902$ O-SELENIUM(+6) ECP-MWB-DZ 903$ S TYPE FUNCTIONS 904 4 2 0 905 3.58818000 0.24963000 0.00000000 906 2.23971100 -0.58146000 0.00000000 907 0.34377300 0.72893800 0.00000000 908 0.13139900 0.00000000 1.00000000 909$ P TYPE FUNCTIONS 910 4 2 0 911 1.50942700 0.19527100 0.00000000 912 0.87510600 -0.25391500 0.00000000 913 0.29082600 -0.59048700 0.00000000 914 0.10022100 0.00000000 1.00000000 915A 14 916$ O-SILICON(+4) ECP-MWB-DZ 917$ S TYPE FUNCTIONS 918 4 2 0 919 4.01437800 -0.03950800 0.00000000 920 1.39370700 0.29615000 0.00000000 921 0.25165800 -0.59975200 0.00000000 922 0.10018000 0.00000000 -0.55590200 923$ P TYPE FUNCTIONS 924 4 2 0 925 1.10248100 -0.08458300 0.00000000 926 0.58312700 0.18574800 0.00000000 927 0.20867500 0.55485200 0.00000000 928 0.06914700 0.00000000 -0.44034000 929$ D TYPE FUNCTIONS 930 1 1 0 931 0.45000000 1.00000000 932A 47 933$ O-SILVER(+19) ECP-MWB-5s5p2d 934$ S TYPE FUNCTIONS 935 7 5 0 936 9.08844200 -1.96481320 0.00000000 0.00000000 0.00000000 0.00000000 937 7.54073100 2.73321940 0.00000000 0.00000000 0.00000000 0.00000000 938 2.79400500 0.19911480 0.00000000 0.00000000 0.00000000 0.00000000 939 1.48015800 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 940 0.65385100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 941 0.12448800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 942 0.04926400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 943$ P TYPE FUNCTIONS 944 7 5 0 945 4.45124000 -6.08337800 0.00000000 0.00000000 0.00000000 0.00000000 946 3.67526300 6.41685430 0.00000000 0.00000000 0.00000000 0.00000000 947 1.29128800 0.19911480 0.75397350 0.00000000 0.00000000 0.00000000 948 0.65257800 0.00000000 0.27305970 0.00000000 0.00000000 0.00000000 949 0.36703600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 950 0.07569400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 951 0.02372300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 952$ D TYPE FUNCTIONS 953 5 2 0 954 7.99473000 -0.01638760 0.00000000 955 2.78477300 0.28141070 0.00000000 956 1.20974400 0.48632640 0.75397350 957 0.50539300 0.38672580 0.27305970 958 0.19885100 0.00000000 1.00000000 959A 11 960$ O-SODIUM(+1) ECP-SDF-DZ 961$ S TYPE FUNCTIONS 962 4 2 0 963 2.60333633 0.00882400 0.00000000 964 0.51721698 -0.18322700 0.00000000 965 0.05819600 0.65201700 0.00000000 966 0.02314100 0.00000000 1.00000000 967$ P TYPE FUNCTIONS 968 4 2 0 969 0.49920601 0.01854700 0.00000000 970 0.07921898 0.27621102 0.00000000 971 0.02994600 0.58700401 0.00000000 972 0.01260500 0.00000000 1.00000000 973A 38 974$ O-STRONTIUM(+10) ECP-MWB-5s5p2d 975$ S TYPE FUNCTIONS 976 6 5 0 977 5.87915700 0.19670900 0.00000000 0.00000000 0.00000000 0.00000000 978 3.09248200 -0.62589800 0.00000000 0.00000000 0.00000000 0.00000000 979 0.64466700 0.00000000 0.73572300 0.00000000 0.00000000 0.00000000 980 0.29887600 0.00000000 0.00000000 0.50733700 0.00000000 0.00000000 981 0.05727600 0.00000000 0.00000000 0.00000000 0.65414300 0.00000000 982 0.02387000 0.00000000 0.00000000 0.00000000 0.00000000 0.52941600 983$ P TYPE FUNCTIONS 984 6 5 0 985 2.43247200 -0.37489900 0.00000000 0.00000000 0.00000000 0.00000000 986 1.66423400 0.38761500 0.00000000 0.00000000 0.00000000 0.00000000 987 0.56998900 0.00000000 0.65583800 0.00000000 0.00000000 0.00000000 988 0.22071800 0.00000000 0.00000000 0.32795500 0.00000000 0.00000000 989 0.06762900 0.00000000 0.00000000 0.00000000 0.47239700 0.00000000 990 0.02672700 0.00000000 0.00000000 0.00000000 0.00000000 0.64219000 991$ D TYPE FUNCTIONS 992 5 2 0 993 3.61808100 -0.00750100 0.00000000 994 0.99665600 0.10809800 0.00000000 995 0.39073500 0.27854000 0.65583800 996 0.12277000 0.00000000 0.47731800 997 0.03665500 0.00000000 0.44818300 998A 16 999$ O-SULFUR(+6) ECP-MWB-DZ 1000$ S TYPE FUNCTIONS 1001 4 2 0 1002 6.83351800 -0.04387500 0.00000000 1003 2.07773800 0.31989400 0.00000000 1004 0.41912100 -0.66123300 0.00000000 1005 0.15323700 0.00000000 1.00000000 1006$ P TYPE FUNCTIONS 1007 4 2 0 1008 1.81713900 -0.07922700 0.00000000 1009 0.85507000 0.26367100 0.00000000 1010 0.31205300 0.58068200 0.00000000 1011 0.10168700 0.00000000 1.00000000 1012A 73 1013$ O-TANTALUM(+13) ECP-MWB-5s4p2d 1014$ S TYPE FUNCTIONS 1015 7 5 0 1016 13.95110500 -1.49290850 0.00000000 0.00000000 0.00000000 0.00000000 1017 12.01024100 2.28201460 0.00000000 0.00000000 0.00000000 0.00000000 1018 5.16644600 -1.71334050 0.00000000 0.00000000 0.00000000 0.00000000 1019 0.85631500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1020 0.36428100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 1021 0.12549400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 1022 0.04621300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1023$ P TYPE FUNCTIONS 1024 6 4 0 1025 7.41887200 1.26680990 0.00000000 0.00000000 0.00000000 1026 5.69841000 -2.20496150 0.00000000 0.00000000 0.00000000 1027 1.31807200 -1.71334050 0.39272020 0.00000000 0.00000000 1028 0.68216900 0.00000000 0.63805260 0.00000000 0.00000000 1029 0.28217200 0.00000000 0.00000000 1.00000000 0.00000000 1030 0.07968500 0.00000000 0.00000000 0.00000000 1.00000000 1031$ D TYPE FUNCTIONS 1032 5 2 0 1033 3.79167100 -0.06689760 0.00000000 1034 1.64930200 0.16690000 0.00000000 1035 0.66492500 0.46427890 0.39272020 1036 0.24665500 0.54886710 0.63805260 1037 0.08272400 0.00000000 1.00000000 1038A 43 1039$ O-TECHNETIUM(+15) ECP-MWB-5s5p2d 1040$ S TYPE FUNCTIONS 1041 7 5 0 1042 7.43440200 -1.11251800 0.00000000 0.00000000 0.00000000 0.00000000 1043 5.55132700 1.81449980 0.00000000 0.00000000 0.00000000 0.00000000 1044 3.02308600 0.25692920 0.00000000 0.00000000 0.00000000 0.00000000 1045 1.08466900 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1046 0.49258500 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 1047 0.11389600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 1048 0.04688700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1049$ P TYPE FUNCTIONS 1050 7 5 0 1051 3.44900500 -4.81613810 0.00000000 0.00000000 0.00000000 0.00000000 1052 2.69273700 5.08660540 0.00000000 0.00000000 0.00000000 0.00000000 1053 0.95948400 0.25692920 0.74490720 0.00000000 0.00000000 0.00000000 1054 0.48521300 0.00000000 0.28268630 0.00000000 0.00000000 0.00000000 1055 0.28149000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 1056 0.06837100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 1057 0.02261300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1058$ D TYPE FUNCTIONS 1059 5 2 0 1060 5.12226800 -0.03323760 0.00000000 1061 1.95401500 0.24673870 0.00000000 1062 0.85475600 0.48023800 0.74490720 1063 0.36058100 0.42886640 0.28268630 1064 0.14127500 0.00000000 1.00000000 1065A 52 1066$ O-TELLURIUM(+6) ECP-MWB-DZ 1067$ S TYPE FUNCTIONS 1068 4 2 0 1069 2.47122200 0.24195600 0.00000000 1070 1.50999500 -0.60048800 0.00000000 1071 0.25467700 0.76352200 0.00000000 1072 0.10263100 0.00000000 1.00000000 1073$ P TYPE FUNCTIONS 1074 4 2 0 1075 2.38873400 0.15818100 0.00000000 1076 1.64416500 -0.32493200 0.00000000 1077 0.28997300 0.58565500 0.00000000 1078 0.09675300 0.00000000 1.00000000 1079A 81 1080$ O-THALLIUM(+3) ECP-MHF-DZ 1081$ S TYPE FUNCTIONS 1082 4 2 0 1083 1.21979600 0.79867400 0.00000000 1084 0.98113800 -1.14935200 0.00000000 1085 0.13978400 0.65010400 0.00000000 1086 0.05526600 0.00000000 0.54346300 1087$ P TYPE FUNCTIONS 1088 4 2 0 1089 1.34250200 0.15639700 0.00000000 1090 0.99398900 -0.27303600 0.00000000 1091 0.14969300 0.48455400 0.00000000 1092 0.04561200 0.00000000 0.64526400 1093A 50 1094$ O-TIN(+4) ECP-MWB-DZ 1095$ S TYPE FUNCTIONS 1096 4 2 0 1097 1.60032200 0.63577600 0.00000000 1098 1.16634100 -1.07627300 0.00000000 1099 0.23976100 0.60859000 0.00000000 1100 0.08723700 0.00000000 0.66097500 1101$ P TYPE FUNCTIONS 1102 4 2 0 1103 2.10467700 0.07895000 0.00000000 1104 1.37109400 -0.19115900 0.00000000 1105 0.20139300 0.54254600 0.00000000 1106 0.06599500 0.00000000 0.57703900 1107A 74 1108$ O-TUNGSTEN(+14) ECP-MWB-5s5p2d 1109$ S TYPE FUNCTIONS 1110 7 5 0 1111 14.29072900 -1.40860990 0.00000000 0.00000000 0.00000000 0.00000000 1112 12.24124900 2.19364700 0.00000000 0.00000000 0.00000000 0.00000000 1113 5.31224000 -1.71080130 0.00000000 0.00000000 0.00000000 0.00000000 1114 0.94962600 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1115 0.43111800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 1116 0.12693100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 1117 0.04653900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1118$ P TYPE FUNCTIONS 1119 7 5 0 1120 7.24965700 2.06101380 0.00000000 0.00000000 0.00000000 0.00000000 1121 6.08487600 -3.00024710 0.00000000 0.00000000 0.00000000 0.00000000 1122 1.69408900 -1.71080130 0.21339640 0.00000000 0.00000000 0.00000000 1123 0.89114400 0.00000000 0.80690390 0.00000000 0.00000000 0.00000000 1124 0.34832800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 1125 0.08467000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 1126 0.02702800 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1127$ D TYPE FUNCTIONS 1128 5 2 0 1129 3.44224800 -0.19325620 0.00000000 1130 2.66715100 0.20793290 0.00000000 1131 0.94710900 0.44238520 0.21339640 1132 0.36538400 0.61598820 0.80690390 1133 0.12090300 0.00000000 1.00000000 1134A 54 1135$ O-XENON(+8) ECP-MWB-4s4p1d 1136$ S TYPE FUNCTIONS 1137 6 4 0 1138 7.85801500 0.05992800 0.00000000 0.00000000 0.00000000 1139 3.49577200 -0.64907600 0.00000000 0.00000000 0.00000000 1140 1.75886900 1.52981400 0.00000000 0.00000000 0.00000000 1141 0.31474500 0.00000000 1.00000000 0.00000000 0.00000000 1142 0.15116000 0.00000000 0.00000000 1.00000000 0.00000000 1143 0.07122600 0.00000000 0.00000000 0.00000000 1.00000000 1144$ P TYPE FUNCTIONS 1145 6 4 0 1146 3.21452300 0.21100500 0.00000000 0.00000000 0.00000000 1147 1.88494400 -0.71267400 0.00000000 0.00000000 0.00000000 1148 0.44887600 1.22808000 0.00000000 0.00000000 0.00000000 1149 0.21223200 0.00000000 1.00000000 0.00000000 0.00000000 1150 0.10011500 0.00000000 0.00000000 1.00000000 0.00000000 1151 0.04697900 0.00000000 0.00000000 0.00000000 1.00000000 1152$ D TYPE FUNCTIONS 1153 1 1 0 1154 0.32180000 1.00000000 1155A 30 1156$ O-ZINC(+2) ECP-MWB-2s1p 1157$ S TYPE FUNCTIONS 1158 3 2 0 1159 0.65665300 -0.35662100 0.00000000 1160 0.22467900 0.52210900 0.00000000 1161 0.06207700 0.00000000 1.00000000 1162$ P TYPE FUNCTIONS 1163 1 1 0 1164 0.08541700 1.00000000 1165A 40 1166$ O-ZIRCONIUM(+12) ECP-MWB-5s4p2d 1167$ S TYPE FUNCTIONS 1168 7 5 0 1169 5.87378900 -0.97366300 0.00000000 0.00000000 0.00000000 0.00000000 1170 4.28727000 1.70918220 0.00000000 0.00000000 0.00000000 0.00000000 1171 1.46413700 0.24383100 0.00000000 0.00000000 0.00000000 0.00000000 1172 0.83124500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1173 0.36233500 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 1174 0.07935700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 1175 0.03392000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1176$ P TYPE FUNCTIONS 1177 6 4 0 1178 2.87422400 -4.21810130 0.00000000 0.00000000 0.00000000 1179 2.11990100 4.04794310 0.00000000 0.00000000 0.00000000 1180 0.85136400 0.24383100 0.57094510 0.00000000 0.00000000 1181 0.43729200 0.00000000 0.46210800 0.00000000 0.00000000 1182 0.20290400 0.00000000 0.00000000 1.00000000 0.00000000 1183 0.06325900 0.00000000 0.00000000 0.00000000 1.00000000 1184$ D TYPE FUNCTIONS 1185 5 2 0 1186 2.58013700 -0.09321310 0.00000000 1187 1.85539600 0.22135700 0.00000000 1188 0.68075400 0.46844270 0.57094510 1189 0.25669100 0.53919500 0.46210800 1190 0.08940000 0.00000000 1.00000000 1191*END OF FILE* 1192