1# SVP + Diffuse + Rydberg EMSL Basis Set Exchange Library 3/15/13 10:17 AM 2# T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY, 3# VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). 4# 5 6# H - F: T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE 7# THEORY VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). 8# Si - Cl: E. MAGNUSSON AND H.F. SCHAEFER III, JCP 83, 5721 (1985). 9# 10 11# T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY, 12# VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). 13# 14 15# T.H. DUNNING, JR. AND P.J. HARRISON, IN MODERN THEORETICAL CHEMISTRY, VOL.2 16# ED. H.F. SCHAEFER III (PLENUM PRESS, NEW YORK, 1977). 17# 18 19 20basis "B_SVP + Diffuse + Rydberg" CARTESIAN 21B S 22 2788.0000000 0.0012880 23 419.0000000 0.0098350 24 96.4700000 0.0476480 25 28.0700000 0.1600690 26 9.3760000 0.3628940 27 3.4060000 0.4335820 28 1.3060000 0.1400820 29B S 30 3.4060000 -0.1793300 31 0.3245000 1.0625940 32B S 33 0.1022000 1.0000000 34B S 35 0.0190000 1.0000000 36B P 37 11.3400000 0.0179880 38 2.4360000 0.1103430 39 0.6836000 0.3830720 40 0.2134000 0.6478950 41B P 42 0.0701100 1.0000000 43B P 44 0.0190000 1.0000000 45B P 46 0.0150000 1.0000000 47B D 48 0.7000000 1.0000000 49B D 50 0.0150000 1.0000000 51end 52basis "C_SVP + Diffuse + Rydberg" CARTESIAN 53C S 54 4233.0000000 0.0012200 55 634.9000000 0.0093420 56 146.1000000 0.0454520 57 42.5000000 0.1546570 58 14.1900000 0.3588660 59 5.1480000 0.4386320 60 1.9670000 0.1459180 61C S 62 5.1480000 -0.1683670 63 0.4962000 1.0600910 64C S 65 0.1533000 1.0000000 66C S 67 0.0230000 1.0000000 68C P 69 18.1600000 0.0185390 70 3.9860000 0.1154360 71 1.1430000 0.3861880 72 0.3594000 0.6401140 73C P 74 0.1146000 1.0000000 75C P 76 0.0340000 1.0000000 77C P 78 0.0210000 1.0000000 79C D 80 0.7500000 1.0000000 81C D 82 0.0150000 1.0000000 83end 84basis "N_SVP + Diffuse + Rydberg" CARTESIAN 85N S 86 5909.0000000 0.0011900 87 887.5000000 0.0090990 88 204.7000000 0.0441450 89 59.8400000 0.1504640 90 20.0000000 0.3567410 91 7.1930000 0.4465330 92 2.6860000 0.1456030 93N S 94 7.1930000 -0.1604050 95 0.7000000 1.0582150 96N S 97 0.2133000 1.0000000 98N S 99 0.0280000 1.0000000 100N P 101 26.7900000 0.0182540 102 5.9560000 0.1164610 103 1.7070000 0.3901780 104 0.5314000 0.6371020 105N P 106 0.1654000 1.0000000 107N P 108 0.0480000 1.0000000 109N P 110 0.0250000 1.0000000 111N D 112 0.8000000 1.0000000 113N D 114 0.0150000 1.0000000 115end 116basis "O_SVP + Diffuse + Rydberg" CARTESIAN 117O S 118 7817.0000000 0.0011760 119 1176.0000000 0.0089680 120 273.2000000 0.0428680 121 81.1700000 0.1439300 122 27.1800000 0.3556300 123 9.5320000 0.4612480 124 3.4140000 0.1402060 125O S 126 9.5320000 -0.1541530 127 0.9398000 1.0569140 128O S 129 0.2846000 1.0000000 130O S 131 0.0320000 1.0000000 132O P 133 35.1800000 0.0195800 134 7.9040000 0.1242000 135 2.3050000 0.3947140 136 0.7171000 0.6273760 137O P 138 0.2137000 1.0000000 139O P 140 0.0590000 1.0000000 141O P 142 0.0280000 1.0000000 143O D 144 0.8500000 1.0000000 145O D 146 0.0150000 1.0000000 147end 148basis "F_SVP + Diffuse + Rydberg" CARTESIAN 149F S 150 9995.0000000 0.0011660 151 1506.0000000 0.0088760 152 350.3000000 0.0423800 153 104.1000000 0.1429290 154 34.8400000 0.3553720 155 12.2200000 0.4620850 156 4.3690000 0.1408480 157F S 158 12.2200000 -0.1484520 159 1.2080000 1.0552700 160F S 161 0.3634000 1.0000000 162F S 163 0.0360000 1.0000000 164F P 165 44.3600000 0.0208760 166 10.0800000 0.1301070 167 2.9960000 0.3961660 168 0.9383000 0.6204040 169F P 170 0.2733000 1.0000000 171F P 172 0.0740000 1.0000000 173F P 174 0.0290000 1.0000000 175F D 176 0.9000000 1.0000000 177F D 178 0.0150000 1.0000000 179end 180basis "Ne_SVP + Diffuse + Rydberg" CARTESIAN 181Ne S 182 12100.0000000 0.0012000 183 1821.0000000 0.0090920 184 432.8000000 0.0413050 185 132.5000000 0.1378670 186 43.7700000 0.3624330 187 14.9100000 0.4722470 188 5.1270000 0.1300350 189Ne S 190 14.9100000 -0.1408100 191 1.4910000 1.0533270 192Ne S 193 0.4468000 1.0000000 194Ne S 195 0.0400000 1.0000000 196Ne P 197 56.4500000 0.0208750 198 12.9200000 0.1300320 199 3.8650000 0.3956790 200 1.2030000 0.6214500 201Ne P 202 0.3444000 1.0000000 203Ne P 204 0.0890000 1.0000000 205Ne P 206 0.0300000 1.0000000 207Ne D 208 0.9500000 1.0000000 209Ne D 210 0.0150000 1.0000000 211end 212