# all_value

name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Zr
data:
ZIRCONIUM
S   25
  1 137465000.0000000           0.0000390        
  2 21983900.0000000            0.0001020        
  3 4663660.0000000             0.0002830        
  4 1230450.0000000             0.0006530        
  5 382971.0000000              0.0014170        
  6 134784.0000000              0.0029290        
  7  51894.2000000              0.0060140        
  8  21319.8000000              0.0124350        
  9   9179.9200000              0.0261990        
 10   4092.8100000              0.0554640        
 11   1875.3900000              0.1132890        
 12    879.6740000              0.2051980        
 13    421.7030000              0.2861040        
 14    206.5130000              0.2401140        
 15    103.2640000              0.0943790        
 16     52.6403000              0.0706840        
 17     27.2498000              0.0937670        
 18     14.2193000              0.0396260        
 19      7.3900300              0.0103750        
 20      3.7578500              0.0083670        
 21      1.8239100              0.0019550        
 22      0.8720740             -0.0000590        
 23      0.3965840              0.0000130        
 24      0.1045330             -0.0000110        
 25      0.0556850              0.0000080        
S   25
  1 137465000.0000000          -0.0000210        
  2 21983900.0000000           -0.0000560        
  3 4663660.0000000            -0.0001540        
  4 1230450.0000000            -0.0003550        
  5 382971.0000000             -0.0007720        
  6 134784.0000000             -0.0015990        
  7  51894.2000000             -0.0032960        
  8  21319.8000000             -0.0068570        
  9   9179.9200000             -0.0146080        
 10   4092.8100000             -0.0315190        
 11   1875.3900000             -0.0668790        
 12    879.6740000             -0.1304680        
 13    421.7030000             -0.2120310        
 14    206.5130000             -0.2295690        
 15    103.2640000             -0.0480050        
 16     52.6403000              0.3457620        
 17     27.2498000              0.5209040        
 18     14.2193000              0.2244900        
 19      7.3900300              0.0378260        
 20      3.7578500              0.0202080        
 21      1.8239100              0.0043710        
 22      0.8720740             -0.0001770        
 23      0.3965840             -0.0000130        
 24      0.1045330             -0.0000230        
 25      0.0556850              0.0000140        
S   25
  1 137465000.0000000           0.0000060        
  2 21983900.0000000            0.0000150        
  3 4663660.0000000             0.0000430        
  4 1230450.0000000             0.0000990        
  5 382971.0000000              0.0002150        
  6 134784.0000000              0.0004470        
  7  51894.2000000              0.0009250        
  8  21319.8000000              0.0019300        
  9   9179.9200000              0.0041530        
 10   4092.8100000              0.0090710        
 11   1875.3900000              0.0198280        
 12    879.6740000              0.0405300        
 13    421.7030000              0.0724480        
 14    206.5130000              0.0884220        
 15    103.2640000              0.0150670        
 16     52.6403000             -0.2428610        
 17     27.2498000             -0.4974240        
 18     14.2193000             -0.2335070        
 19      7.3900300              0.4854210        
 20      3.7578500              0.7020170        
 21      1.8239100              0.1631350        
 22      0.8720740              0.0016550        
 23      0.3965840              0.0030010        
 24      0.1045330             -0.0003620        
 25      0.0556850              0.0002950        
S   25
  1 137465000.0000000          -0.0000020        
  2 21983900.0000000           -0.0000060        
  3 4663660.0000000            -0.0000160        
  4 1230450.0000000            -0.0000370        
  5 382971.0000000             -0.0000800        
  6 134784.0000000             -0.0001660        
  7  51894.2000000             -0.0003430        
  8  21319.8000000             -0.0007160        
  9   9179.9200000             -0.0015380        
 10   4092.8100000             -0.0033620        
 11   1875.3900000             -0.0073280        
 12    879.6740000             -0.0150040        
 13    421.7030000             -0.0267120        
 14    206.5130000             -0.0329150        
 15    103.2640000             -0.0054230        
 16     52.6403000              0.0942620        
 17     27.2498000              0.2112000        
 18     14.2193000              0.0974330        
 19      7.3900300             -0.2577540        
 20      3.7578500             -0.6437290        
 21      1.8239100             -0.1211340        
 22      0.8720740              0.7660700        
 23      0.3965840              0.5479130        
 24      0.1045330              0.0433770        
 25      0.0556850             -0.0166790        
S   25
  1 137465000.0000000           0.0000010        
  2 21983900.0000000            0.0000020        
  3 4663660.0000000             0.0000040        
  4 1230450.0000000             0.0000100        
  5 382971.0000000              0.0000220        
  6 134784.0000000              0.0000460        
  7  51894.2000000              0.0000940        
  8  21319.8000000              0.0001970        
  9   9179.9200000              0.0004230        
 10   4092.8100000              0.0009270        
 11   1875.3900000              0.0020180        
 12    879.6740000              0.0041420        
 13    421.7030000              0.0073600        
 14    206.5130000              0.0091190        
 15    103.2640000              0.0014430        
 16     52.6403000             -0.0261460        
 17     27.2498000             -0.0596490        
 18     14.2193000             -0.0270770        
 19      7.3900300              0.0741240        
 20      3.7578500              0.2051780        
 21      1.8239100              0.0316960        
 22      0.8720740             -0.3079690        
 23      0.3965840             -0.3842290        
 24      0.1045330              0.2243790        
 25      0.0556850              0.6526520        
S   25
  1 137465000.0000000           0.0000010        
  2 21983900.0000000            0.0000030        
  3 4663660.0000000             0.0000080        
  4 1230450.0000000             0.0000180        
  5 382971.0000000              0.0000390        
  6 134784.0000000              0.0000810        
  7  51894.2000000              0.0001710        
  8  21319.8000000              0.0003470        
  9   9179.9200000              0.0007770        
 10   4092.8100000              0.0016050        
 11   1875.3900000              0.0037570        
 12    879.6740000              0.0070360        
 13    421.7030000              0.0141370        
 14    206.5130000              0.0139740        
 15    103.2640000              0.0082520        
 16     52.6403000             -0.0600270        
 17     27.2498000             -0.0805800        
 18     14.2193000             -0.1032140        
 19      7.3900300              0.2392630        
 20      3.7578500              0.2188950        
 21      1.8239100              0.3606080        
 22      0.8720740             -1.3339990        
 23      0.3965840              0.0562250        
 24      0.1045330              2.5986730        
 25      0.0556850             -1.5901640        
S   25
  1 137465000.0000000           0.0000020        
  2 21983900.0000000            0.0000040        
  3 4663660.0000000             0.0000120        
  4 1230450.0000000             0.0000270        
  5 382971.0000000              0.0000580        
  6 134784.0000000              0.0001180        
  7  51894.2000000              0.0002540        
  8  21319.8000000              0.0005000        
  9   9179.9200000              0.0011710        
 10   4092.8100000              0.0022820        
 11   1875.3900000              0.0057400        
 12    879.6740000              0.0098090        
 13    421.7030000              0.0222160        
 14    206.5130000              0.0172170        
 15    103.2640000              0.0203720        
 16     52.6403000             -0.1080960        
 17     27.2498000             -0.0846130        
 18     14.2193000             -0.2264530        
 19      7.3900300              0.5213300        
 20      3.7578500              0.1380690        
 21      1.8239100              0.8852170        
 22      0.8720740             -3.7091920        
 23      0.3965840              3.4756970        
 24      0.1045330             -0.2666100        
 25      0.0556850             -2.2712720        
S   1
  1      0.0249620              1.0000000        
S   1
  1      0.0112000              1.0000000        
P   20
  1 1026890.0000000             0.0000140        
  2 166325.0000000              0.0000540        
  3  37381.9000000              0.0002110        
  4  10771.6000000              0.0007820        
  5   3733.5900000              0.0028240        
  6   1480.4400000              0.0096440        
  7    646.1670000              0.0299270        
  8    301.6820000              0.0815930        
  9    147.5910000              0.1827890        
 10     74.5800000              0.3108630        
 11     38.5385000              0.3449150        
 12     20.2133000              0.1912910        
 13     10.6887000              0.0358310        
 14      5.6538700             -0.0055640        
 15      2.9595100             -0.0049940        
 16      1.5093500             -0.0007890        
 17      0.7426710              0.0000320        
 18      0.3561060              0.0000840        
 19      0.1432030              0.0000050        
 20      0.0613660              0.0000030        
P   20
  1 1026890.0000000            -0.0000060        
  2 166325.0000000             -0.0000220        
  3  37381.9000000             -0.0000860        
  4  10771.6000000             -0.0003200        
  5   3733.5900000             -0.0011590        
  6   1480.4400000             -0.0039830        
  7    646.1670000             -0.0125320        
  8    301.6820000             -0.0350530        
  9    147.5910000             -0.0818230        
 10     74.5800000             -0.1469170        
 11     38.5385000             -0.1665300        
 12     20.2133000             -0.0019580        
 13     10.6887000              0.3022470        
 14      5.6538700              0.4800820        
 15      2.9595100              0.2895230        
 16      1.5093500              0.0460620        
 17      0.7426710             -0.0010090        
 18      0.3561060             -0.0026480        
 19      0.1432030             -0.0002700        
 20      0.0613660             -0.0000550        
P   20
  1 1026890.0000000             0.0000020        
  2 166325.0000000              0.0000080        
  3  37381.9000000              0.0000300        
  4  10771.6000000              0.0001130        
  5   3733.5900000              0.0004080        
  6   1480.4400000              0.0014030        
  7    646.1670000              0.0044240        
  8    301.6820000              0.0124070        
  9    147.5910000              0.0291180        
 10     74.5800000              0.0526350        
 11     38.5385000              0.0599290        
 12     20.2133000             -0.0065290        
 13     10.6887000             -0.1338850        
 14      5.6538700             -0.2384410        
 15      2.9595100             -0.1409390        
 16      1.5093500              0.2670430        
 17      0.7426710              0.5264040        
 18      0.3561060              0.3500400        
 19      0.1432030              0.0607950        
 20      0.0613660             -0.0035120        
P   20
  1 1026890.0000000            -0.0000010        
  2 166325.0000000             -0.0000020        
  3  37381.9000000             -0.0000080        
  4  10771.6000000             -0.0000310        
  5   3733.5900000             -0.0001120        
  6   1480.4400000             -0.0003850        
  7    646.1670000             -0.0012160        
  8    301.6820000             -0.0034030        
  9    147.5910000             -0.0080150        
 10     74.5800000             -0.0144450        
 11     38.5385000             -0.0165750        
 12     20.2133000              0.0022160        
 13     10.6887000              0.0373230        
 14      5.6538700              0.0690390        
 15      2.9595100              0.0378250        
 16      1.5093500             -0.0877260        
 17      0.7426710             -0.2031560        
 18      0.3561060             -0.1411200        
 19      0.1432030              0.2623720        
 20      0.0613660              0.6031610        
P   20
  1 1026890.0000000            -0.0000010        
  2 166325.0000000             -0.0000030        
  3  37381.9000000             -0.0000120        
  4  10771.6000000             -0.0000440        
  5   3733.5900000             -0.0001580        
  6   1480.4400000             -0.0005440        
  7    646.1670000             -0.0017170        
  8    301.6820000             -0.0048120        
  9    147.5910000             -0.0113090        
 10     74.5800000             -0.0204390        
 11     38.5385000             -0.0233420        
 12     20.2133000              0.0029340        
 13     10.6887000              0.0530020        
 14      5.6538700              0.0969350        
 15      2.9595100              0.0553000        
 16      1.5093500             -0.1263110        
 17      0.7426710             -0.2883080        
 18      0.3561060             -0.2127200        
 19      0.1432030              0.5617710        
 20      0.0613660              0.5907190        
P   20
  1 1026890.0000000            -0.0000010        
  2 166325.0000000             -0.0000050        
  3  37381.9000000             -0.0000200        
  4  10771.6000000             -0.0000730        
  5   3733.5900000             -0.0002750        
  6   1480.4400000             -0.0009030        
  7    646.1670000             -0.0030050        
  8    301.6820000             -0.0079310        
  9    147.5910000             -0.0199890        
 10     74.5800000             -0.0329840        
 11     38.5385000             -0.0444290        
 12     20.2133000              0.0152060        
 13     10.6887000              0.0721590        
 14      5.6538700              0.2108560        
 15      2.9595100              0.0289350        
 16      1.5093500             -0.1300640        
 17      0.7426710             -1.0529780        
 18      0.3561060              0.8409110        
 19      0.1432030              1.1121990        
 20      0.0613660             -1.1576550        
P   1
  1      0.0253800              1.0000000        
P   1
  1      0.0105000              1.0000000        
D   13
  1   1873.9800000              0.0001650        
  2    538.4570000              0.0014760        
  3    201.3810000              0.0087010        
  4     87.7228000              0.0342520        
  5     41.4951000              0.1005890        
  6     20.4746000              0.2180290        
  7     10.3147000              0.3259560        
  8      5.2323700              0.3343750        
  9      2.6265600              0.1951030        
 10      1.2521400              0.0452140        
 11      0.5665690              0.0018540        
 12      0.2447510              0.0004680        
 13      0.1007930             -0.0001050        
D   13
  1   1873.9800000             -0.0000360        
  2    538.4570000             -0.0003200        
  3    201.3810000             -0.0018890        
  4     87.7228000             -0.0074860        
  5     41.4951000             -0.0221550        
  6     20.4746000             -0.0483830        
  7     10.3147000             -0.0698250        
  8      5.2323700             -0.0662840        
  9      2.6265600              0.0093450        
 10      1.2521400              0.1800330        
 11      0.5665690              0.3375510        
 12      0.2447510              0.3797130        
 13      0.1007930              0.2816470        
D   13
  1   1873.9800000              0.0000380        
  2    538.4570000              0.0003410        
  3    201.3810000              0.0020070        
  4     87.7228000              0.0079710        
  5     41.4951000              0.0235960        
  6     20.4746000              0.0516520        
  7     10.3147000              0.0737130        
  8      5.2323700              0.0681610        
  9      2.6265600             -0.0221710        
 10      1.2521400             -0.2243400        
 11      0.5665690             -0.4064670        
 12      0.2447510             -0.1230570        
 13      0.1007930              0.5401810        
D   13
  1   1873.9800000             -0.0000510        
  2    538.4570000             -0.0004560        
  3    201.3810000             -0.0027100        
  4     87.7228000             -0.0107010        
  5     41.4951000             -0.0320450        
  6     20.4746000             -0.0694640        
  7     10.3147000             -0.0980730        
  8      5.2323700             -0.0800630        
  9      2.6265600              0.0548690        
 10      1.2521400              0.4033390        
 11      0.5665690              0.4207990        
 12      0.2447510             -0.7613030        
 13      0.1007930             -0.3936520        
D   1
  1      0.0387210              1.0000000        
D   1
  1      0.0149000              1.0000000        
F   1
  1      0.7043000              1.0000000        
F   1
  1      0.1873000              1.0000000        
F   1
  1      0.0631000              1.0000000        
G   1
  1      0.4157000              1.0000000        
G   1
  1      0.1377000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Nb
data:
NIOBIUM
S   25
  1 148730000.0000000           0.0000410        
  2 23767800.0000000            0.0001070        
  3 5046420.0000000             0.0002940        
  4 1333380.0000000             0.0006750        
  5 415571.0000000              0.0014590        
  6 146370.0000000              0.0030020        
  7  56350.8000000              0.0061330        
  8  23127.9000000              0.0126210        
  9   9940.2500000              0.0264740        
 10   4420.8100000              0.0558980        
 11   2019.8800000              0.1142690        
 12    944.6900000              0.2081040        
 13    451.6810000              0.2936160        
 14    220.7490000              0.2517500        
 15    110.2620000              0.0988110        
 16     56.2091000              0.0565980        
 17     29.1336000              0.0730030        
 18     15.2394000              0.0313210        
 19      7.9473000              0.0093030        
 20      4.0572900              0.0079850        
 21      1.9768800              0.0018860        
 22      0.9521430             -0.0000610        
 23      0.4336490              0.0000100        
 24      0.1145890             -0.0000100        
 25      0.0584420              0.0000070        
S   25
  1 148730000.0000000          -0.0000200        
  2 23767800.0000000           -0.0000530        
  3 5046420.0000000            -0.0001460        
  4 1333380.0000000            -0.0003340        
  5 415571.0000000             -0.0007240        
  6 146370.0000000             -0.0014930        
  7  56350.8000000             -0.0030630        
  8  23127.9000000             -0.0063440        
  9   9940.2500000             -0.0134640        
 10   4420.8100000             -0.0289990        
 11   2019.8800000             -0.0616640        
 12    944.6900000             -0.1212130        
 13    451.6810000             -0.1998810        
 14    220.7490000             -0.2214680        
 15    110.2620000             -0.0490010        
 16     56.2091000              0.3425590        
 17     29.1336000              0.5252470        
 18     15.2394000              0.2316160        
 19      7.9473000              0.0391050        
 20      4.0572900              0.0199740        
 21      1.9768800              0.0043170        
 22      0.9521430             -0.0002310        
 23      0.4336490             -0.0000460        
 24      0.1145890             -0.0000230        
 25      0.0584420              0.0000130        
S   25
  1 148730000.0000000           0.0000060        
  2 23767800.0000000            0.0000160        
  3 5046420.0000000             0.0000440        
  4 1333380.0000000             0.0001010        
  5 415571.0000000              0.0002180        
  6 146370.0000000              0.0004510        
  7  56350.8000000              0.0009280        
  8  23127.9000000              0.0019290        
  9   9940.2500000              0.0041300        
 10   4420.8100000              0.0089920        
 11   2019.8800000              0.0196400        
 12    944.6900000              0.0402340        
 13    451.6810000              0.0722700        
 14    220.7490000              0.0891500        
 15    110.2620000              0.0173520        
 16     56.2091000             -0.2402570        
 17     29.1336000             -0.4991280        
 18     15.2394000             -0.2448270        
 19      7.9473000              0.4815720        
 20      4.0572900              0.7099620        
 21      1.9768800              0.1650660        
 22      0.9521430              0.0016990        
 23      0.4336490              0.0027620        
 24      0.1145890             -0.0003210        
 25      0.0584420              0.0002510        
S   25
  1 148730000.0000000          -0.0000020        
  2 23767800.0000000           -0.0000060        
  3 5046420.0000000            -0.0000170        
  4 1333380.0000000            -0.0000380        
  5 415571.0000000             -0.0000830        
  6 146370.0000000             -0.0001720        
  7  56350.8000000             -0.0003540        
  8  23127.9000000             -0.0007350        
  9   9940.2500000             -0.0015720        
 10   4420.8100000             -0.0034260        
 11   2019.8800000             -0.0074620        
 12    944.6900000             -0.0153020        
 13    451.6810000             -0.0273680        
 14    220.7490000             -0.0340370        
 15    110.2620000             -0.0064790        
 16     56.2091000              0.0956110        
 17     29.1336000              0.2170360        
 18     15.2394000              0.1058950        
 19      7.9473000             -0.2639330        
 20      4.0572900             -0.6715680        
 21      1.9768800             -0.1085610        
 22      0.9521430              0.7849520        
 23      0.4336490              0.5342750        
 24      0.1145890              0.0397640        
 25      0.0584420             -0.0144210        
S   25
  1 148730000.0000000           0.0000010        
  2 23767800.0000000            0.0000020        
  3 5046420.0000000             0.0000050        
  4 1333380.0000000             0.0000110        
  5 415571.0000000              0.0000230        
  6 146370.0000000              0.0000470        
  7  56350.8000000              0.0000970        
  8  23127.9000000              0.0002030        
  9   9940.2500000              0.0004330        
 10   4420.8100000              0.0009450        
 11   2019.8800000              0.0020560        
 12    944.6900000              0.0042220        
 13    451.6810000              0.0075480        
 14    220.7490000              0.0094170        
 15    110.2620000              0.0017690        
 16     56.2091000             -0.0266170        
 17     29.1336000             -0.0612000        
 18     15.2394000             -0.0298710        
 19      7.9473000              0.0768170        
 20      4.0572900              0.2140280        
 21      1.9768800              0.0285210        
 22      0.9521430             -0.3245640        
 23      0.4336490             -0.3700090        
 24      0.1145890              0.2587600        
 25      0.0584420              0.6441050        
S   25
  1 148730000.0000000           0.0000010        
  2 23767800.0000000            0.0000030        
  3 5046420.0000000             0.0000090        
  4 1333380.0000000             0.0000200        
  5 415571.0000000              0.0000420        
  6 146370.0000000              0.0000870        
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  8  23127.9000000              0.0003670        
  9   9940.2500000              0.0008210        
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 16     56.2091000             -0.0641220        
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 23      0.4336490              0.2297770        
 24      0.1145890              2.4372080        
 25      0.0584420             -1.5738370        
S   25
  1 148730000.0000000           0.0000020        
  2 23767800.0000000            0.0000050        
  3 5046420.0000000             0.0000130        
  4 1333380.0000000             0.0000290        
  5 415571.0000000              0.0000640        
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  8  23127.9000000              0.0005450        
  9   9940.2500000              0.0012510        
 10   4420.8100000              0.0024790        
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 23      0.4336490              3.7656100        
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 25      0.0584420             -1.4369880        
S   1
  1      0.0261710              1.0000000        
S   1
  1      0.0117000              1.0000000        
P   20
  1 1081950.0000000             0.0000150        
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  8    322.4500000              0.0806560        
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 17      0.8011640              0.0000120        
 18      0.3849500              0.0000720        
 19      0.1534890              0.0000010        
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P   20
  1 1081950.0000000            -0.0000060        
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  9    157.5390000             -0.0820970        
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 18      0.3849500             -0.0022680        
 19      0.1534890             -0.0001410        
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P   20
  1 1081950.0000000             0.0000020        
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  3  40400.2000000              0.0000320        
  4  11646.1000000              0.0001170        
  5   4025.9500000              0.0004210        
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  7    692.1700000              0.0045510        
  8    322.4500000              0.0127820        
  9    157.5390000              0.0301060        
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 18      0.3849500              0.3314770        
 19      0.1534890              0.0542130        
 20      0.0654720             -0.0034560        
P   20
  1 1081950.0000000            -0.0000010        
  2 178505.0000000             -0.0000020        
  3  40400.2000000             -0.0000090        
  4  11646.1000000             -0.0000320        
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  6   1590.7600000             -0.0003980        
  7    692.1700000             -0.0012590        
  8    322.4500000             -0.0035260        
  9    157.5390000             -0.0083400        
 10     79.5406000             -0.0151020        
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 18      0.3849500             -0.1204140        
 19      0.1534890              0.2917430        
 20      0.0654720              0.5912140        
P   20
  1 1081950.0000000            -0.0000010        
  2 178505.0000000             -0.0000030        
  3  40400.2000000             -0.0000130        
  4  11646.1000000             -0.0000470        
  5   4025.9500000             -0.0001710        
  6   1590.7600000             -0.0005830        
  7    692.1700000             -0.0018480        
  8    322.4500000             -0.0051640        
  9    157.5390000             -0.0122450        
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 13     11.3695000              0.0576340        
 14      6.0122400              0.1096990        
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 16      1.6193400             -0.1418920        
 17      0.8011640             -0.3298490        
 18      0.3849500             -0.1568540        
 19      0.1534890              0.6292060        
 20      0.0654720              0.5198610        
P   20
  1 1081950.0000000            -0.0000010        
  2 178505.0000000             -0.0000050        
  3  40400.2000000             -0.0000210        
  4  11646.1000000             -0.0000770        
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  6   1590.7600000             -0.0009390        
  7    692.1700000             -0.0031050        
  8    322.4500000             -0.0082690        
  9    157.5390000             -0.0207510        
 10     79.5406000             -0.0348160        
 11     41.0712000             -0.0463250        
 12     21.5218000              0.0147710        
 13     11.3695000              0.0803410        
 14      6.0122400              0.2209270        
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 17      0.8011640             -1.0346950        
 18      0.3849500              0.9987380        
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P   1
  1      0.0270960              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   13
  1   2047.1800000              0.0001570        
  2    599.8590000              0.0013530        
  3    224.1360000              0.0081000        
  4     97.1815000              0.0325480        
  5     45.9133000              0.0965810        
  6     22.7242000              0.2118530        
  7     11.5075000              0.3227170        
  8      5.8693800              0.3378230        
  9      2.9685200              0.2005590        
 10      1.4328500              0.0475920        
 11      0.6629510              0.0021660        
 12      0.2940320              0.0004910        
 13      0.1239340             -0.0001120        
D   13
  1   2047.1800000             -0.0000380        
  2    599.8590000             -0.0003270        
  3    224.1360000             -0.0019570        
  4     97.1815000             -0.0079200        
  5     45.9133000             -0.0236740        
  6     22.7242000             -0.0524380        
  7     11.5075000             -0.0771350        
  8      5.8693800             -0.0748630        
  9      2.9685200              0.0085390        
 10      1.4328500              0.1936060        
 11      0.6629510              0.3516780        
 12      0.2940320              0.3741950        
 13      0.1239340              0.2573040        
D   13
  1   2047.1800000              0.0000390        
  2    599.8590000              0.0003390        
  3    224.1360000              0.0020300        
  4     97.1815000              0.0082370        
  5     45.9133000              0.0246380        
  6     22.7242000              0.0547380        
  7     11.5075000              0.0794650        
  8      5.8693800              0.0746190        
  9      2.9685200             -0.0244160        
 10      1.4328500             -0.2434820        
 11      0.6629510             -0.4058840        
 12      0.2940320             -0.0692540        
 13      0.1239340              0.5462220        
D   13
  1   2047.1800000             -0.0000570        
  2    599.8590000             -0.0004800        
  3    224.1360000             -0.0029260        
  4     97.1815000             -0.0117090        
  5     45.9133000             -0.0358010        
  6     22.7242000             -0.0780390        
  7     11.5075000             -0.1128190        
  8      5.8693800             -0.0870670        
  9      2.9685200              0.0687310        
 10      1.4328500              0.4755960        
 11      0.6629510              0.3420330        
 12      0.2940320             -0.8311780        
 13      0.1239340             -0.2779220        
D   1
  1      0.0483960              1.0000000        
D   1
  1      0.0189000              1.0000000        
F   1
  1      0.9219000              1.0000000        
F   1
  1      0.2533000              1.0000000        
F   1
  1      0.0921000              1.0000000        
G   1
  1      0.5817000              1.0000000        
G   1
  1      0.2175000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Mo
data:
MOLYBDENUM
S   25
  1 162227000.0000000           0.0000430        
  2 25688100.0000000            0.0001130        
  3 5428430.0000000             0.0003120        
  4 1432080.0000000             0.0007130        
  5 446571.0000000              0.0015320        
  6 157565.0000000              0.0031310        
  7  60800.4000000              0.0063490        
  8  25011.8000000              0.0129570        
  9  10771.0000000              0.0269590        
 10   4796.8400000              0.0565710        
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 13    490.1640000              0.3050670        
 14    239.3290000              0.2726880        
 15    119.4130000              0.1085990        
 16     60.8193000              0.0311930        
 17     31.5113000              0.0337550        
 18     16.4919000              0.0144760        
 19      8.6161400              0.0066790        
 20      4.4141500              0.0068920        
 21      2.1627000              0.0017280        
 22      1.0461000             -0.0000530        
 23      0.4762780              0.0000120        
 24      0.1268570             -0.0000100        
 25      0.0638610              0.0000060        
S   25
  1 162227000.0000000          -0.0000170        
  2 25688100.0000000           -0.0000460        
  3 5428430.0000000            -0.0001270        
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  9  10771.0000000             -0.0113070        
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 23      0.4762780             -0.0001050        
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S   25
  1 162227000.0000000           0.0000060        
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 23      0.4762780              0.0025560        
 24      0.1268570             -0.0003390        
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S   25
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 23      0.4762780              0.5331810        
 24      0.1268570              0.0387520        
 25      0.0638610             -0.0137460        
S   25
  1 162227000.0000000           0.0000010        
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  4 1432080.0000000             0.0000110        
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 22      1.0461000             -0.3303870        
 23      0.4762780             -0.3598590        
 24      0.1268570              0.2478020        
 25      0.0638610              0.6410330        
S   25
  1 162227000.0000000           0.0000010        
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  4 1432080.0000000             0.0000210        
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S   1
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S   1
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P   20
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  8    353.1500000              0.0771040        
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 17      0.8939430              0.0000180        
 18      0.4285930              0.0000700        
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P   20
  1 1206380.0000000            -0.0000060        
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  3  45281.8000000             -0.0000870        
  4  13010.1000000             -0.0003160        
  5   4474.9900000             -0.0011260        
  6   1758.5000000             -0.0038440        
  7    761.2450000             -0.0121250        
  8    353.1500000             -0.0341830        
  9    172.0400000             -0.0808960        
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 14      6.6120500              0.4869490        
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 18      0.4285930             -0.0023640        
 19      0.1701960             -0.0001630        
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P   20
  1 1206380.0000000             0.0000020        
  2 200084.0000000              0.0000080        
  3  45281.8000000              0.0000320        
  4  13010.1000000              0.0001160        
  5   4474.9900000              0.0004140        
  6   1758.5000000              0.0014130        
  7    761.2450000              0.0044670        
  8    353.1500000              0.0126280        
  9    172.0400000              0.0300720        
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 17      0.8939430              0.5350980        
 18      0.4285930              0.3336620        
 19      0.1701960              0.0538120        
 20      0.0716650             -0.0033760        
P   20
  1 1206380.0000000             0.0000010        
  2 200084.0000000              0.0000020        
  3  45281.8000000              0.0000090        
  4  13010.1000000              0.0000320        
  5   4474.9900000              0.0001130        
  6   1758.5000000              0.0003870        
  7    761.2450000              0.0012260        
  8    353.1500000              0.0034590        
  9    172.0400000              0.0082700        
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 16      1.8033000              0.0976010        
 17      0.8939430              0.2133040        
 18      0.4285930              0.1173450        
 19      0.1701960             -0.2870540        
 20      0.0716650             -0.5891390        
P   20
  1 1206380.0000000            -0.0000010        
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  3  45281.8000000             -0.0000140        
  4  13010.1000000             -0.0000490        
  5   4474.9900000             -0.0001750        
  6   1758.5000000             -0.0005950        
  7    761.2450000             -0.0018950        
  8    353.1500000             -0.0053190        
  9    172.0400000             -0.0127850        
 10     86.7370000             -0.0233360        
 11     44.7887000             -0.0282080        
 12     23.5044000              0.0018820        
 13     12.4520000              0.0591650        
 14      6.6120500              0.1192730        
 15      3.4870300              0.0589200        
 16      1.8033000             -0.1483110        
 17      0.8939430             -0.3626210        
 18      0.4285930             -0.1214220        
 19      0.1701960              0.6465160        
 20      0.0716650              0.4914620        
P   20
  1 1206380.0000000            -0.0000020        
  2 200084.0000000             -0.0000060        
  3  45281.8000000             -0.0000220        
  4  13010.1000000             -0.0000780        
  5   4474.9900000             -0.0002890        
  6   1758.5000000             -0.0009480        
  7    761.2450000             -0.0031370        
  8    353.1500000             -0.0084320        
  9    172.0400000             -0.0213280        
 10     86.7370000             -0.0364610        
 11     44.7887000             -0.0495890        
 12     23.5044000              0.0115670        
 13     12.4520000              0.0832840        
 14      6.6120500              0.2325200        
 15      3.4870300              0.0500170        
 16      1.8033000             -0.2401780        
 17      0.8939430             -1.0327420        
 18      0.4285930              1.0666440        
 19      0.1701960              0.8318460        
 20      0.0716650             -1.1222900        
P   1
  1      0.0292390              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   13
  1   2176.1800000              0.0001630        
  2    623.7920000              0.0014450        
  3    231.7980000              0.0086280        
  4    100.5040000              0.0344030        
  5     47.5065000              0.1016110        
  6     23.5103000              0.2202730        
  7     11.9078000              0.3299860        
  8      6.0820200              0.3348450        
  9      3.0807100              0.1856540        
 10      1.4852500              0.0393380        
 11      0.6892400              0.0014100        
 12      0.3073880              0.0004510        
 13      0.1305320             -0.0000990        
D   13
  1   2176.1800000             -0.0000420        
  2    623.7920000             -0.0003760        
  3    231.7980000             -0.0022460        
  4    100.5040000             -0.0090320        
  5     47.5065000             -0.0268800        
  6     23.5103000             -0.0588460        
  7     11.9078000             -0.0847910        
  8      6.0820200             -0.0784200        
  9      3.0807100              0.0257280        
 10      1.4852500              0.2293670        
 11      0.6892400              0.3725650        
 12      0.3073880              0.3577360        
 13      0.1305320              0.2187660        
D   13
  1   2176.1800000              0.0000430        
  2    623.7920000              0.0003800        
  3    231.7980000              0.0022850        
  4    100.5040000              0.0091540        
  5     47.5065000              0.0274530        
  6     23.5103000              0.0598630        
  7     11.9078000              0.0857070        
  8      6.0820200              0.0730670        
  9      3.0807100             -0.0421480        
 10      1.4852500             -0.2892500        
 11      0.6892400             -0.3951860        
 12      0.3073880              0.0520610        
 13      0.1305320              0.5781250        
D   13
  1   2176.1800000             -0.0000640        
  2    623.7920000             -0.0005580        
  3    231.7980000             -0.0033850        
  4    100.5040000             -0.0134850        
  5     47.5065000             -0.0410260        
  6     23.5103000             -0.0885620        
  7     11.9078000             -0.1236640        
  8      6.0820200             -0.0878110        
  9      3.0807100              0.1169900        
 10      1.4852500              0.5726770        
 11      0.6892400              0.1386100        
 12      0.3073880             -0.9149480        
 13      0.1305320              0.0060120        
D   1
  1      0.0512460              1.0000000        
D   1
  1      0.0201000              1.0000000        
F   1
  1      1.1156000              1.0000000        
F   1
  1      0.3136000              1.0000000        
F   1
  1      0.1190000              1.0000000        
G   1
  1      0.7188000              1.0000000        
G   1
  1      0.2855000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Tc
data:
TECHNETIUM
S   25
  1 178961000.0000000           0.0000430        
  2 28148200.0000000            0.0001140        
  3 5914010.0000000             0.0003140        
  4 1552760.0000000             0.0007180        
  5 482395.0000000              0.0015410        
  6 169737.0000000              0.0031420        
  7  65376.0000000              0.0063430        
  8  26865.3000000              0.0128650        
  9  11564.1000000              0.0265800        
 10   5150.3200000              0.0553900        
 11   2355.6900000              0.1125490        
 12   1102.3400000              0.2063370        
 13    527.0590000              0.2990520        
 14    257.4680000              0.2719330        
 15    128.5040000              0.1126190        
 16     65.4587000              0.0375590        
 17     33.9144000              0.0437580        
 18     17.7481000              0.0196590        
 19      9.2726700              0.0081340        
 20      4.7523800              0.0081610        
 21      2.3310300              0.0020330        
 22      1.1301700             -0.0000570        
 23      0.5131080              0.0000130        
 24      0.1304190             -0.0000100        
 25      0.0638980              0.0000070        
S   25
  1 178961000.0000000          -0.0000190        
  2 28148200.0000000           -0.0000490        
  3 5914010.0000000            -0.0001350        
  4 1552760.0000000            -0.0003090        
  5 482395.0000000             -0.0006650        
  6 169737.0000000             -0.0013590        
  7  65376.0000000             -0.0027560        
  8  26865.3000000             -0.0056310        
  9  11564.1000000             -0.0117810        
 10   5150.3200000             -0.0250750        
 11   2355.6900000             -0.0530900        
 12   1102.3400000             -0.1052320        
 13    527.0590000             -0.1783810        
 14    257.4680000             -0.2095460        
 15    128.5040000             -0.0629670        
 16     65.4587000              0.3179020        
 17     33.9144000              0.5332110        
 18     17.7481000              0.2551560        
 19      9.2726700              0.0449990        
 20      4.7523800              0.0227030        
 21      2.3310300              0.0049700        
 22      1.1301700             -0.0002370        
 23      0.5131080             -0.0000920        
 24      0.1304190             -0.0000180        
 25      0.0638980              0.0000080        
S   25
  1 178961000.0000000           0.0000060        
  2 28148200.0000000            0.0000170        
  3 5914010.0000000             0.0000460        
  4 1552760.0000000             0.0001060        
  5 482395.0000000              0.0002290        
  6 169737.0000000              0.0004680        
  7  65376.0000000              0.0009530        
  8  26865.3000000              0.0019510        
  9  11564.1000000              0.0041130        
 10   5150.3200000              0.0088260        
 11   2355.6900000              0.0191010        
 12   1102.3400000              0.0390900        
 13    527.0590000              0.0709630        
 14    257.4680000              0.0909350        
 15    128.5040000              0.0274540        
 16     65.4587000             -0.2234740        
 17     33.9144000             -0.5028100        
 18     17.7481000             -0.2858970        
 19      9.2726700              0.4598010        
 20      4.7523800              0.7330610        
 21      2.3310300              0.1760240        
 22      1.1301700              0.0021870        
 23      0.5131080              0.0024930        
 24      0.1304190             -0.0002820        
 25      0.0638980              0.0002220        
S   25
  1 178961000.0000000          -0.0000030        
  2 28148200.0000000           -0.0000070        
  3 5914010.0000000            -0.0000180        
  4 1552760.0000000            -0.0000420        
  5 482395.0000000             -0.0000910        
  6 169737.0000000             -0.0001850        
  7  65376.0000000             -0.0003770        
  8  26865.3000000             -0.0007720        
  9  11564.1000000             -0.0016260        
 10   5150.3200000             -0.0034910        
 11   2355.6900000             -0.0075330        
 12   1102.3400000             -0.0154220        
 13    527.0590000             -0.0278620        
 14    257.4680000             -0.0359250        
 15    128.5040000             -0.0107650        
 16     65.4587000              0.0918410        
 17     33.9144000              0.2257930        
 18     17.7481000              0.1309140        
 19      9.2726700             -0.2642190        
 20      4.7523800             -0.7202240        
 21      2.3310300             -0.1028710        
 22      1.1301700              0.8117620        
 23      0.5131080              0.5218420        
 24      0.1304190              0.0351890        
 25      0.0638980             -0.0127690        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000020        
  3 5914010.0000000             0.0000050        
  4 1552760.0000000             0.0000110        
  5 482395.0000000              0.0000240        
  6 169737.0000000              0.0000500        
  7  65376.0000000              0.0001010        
  8  26865.3000000              0.0002070        
  9  11564.1000000              0.0004350        
 10   5150.3200000              0.0009350        
 11   2355.6900000              0.0020160        
 12   1102.3400000              0.0041320        
 13    527.0590000              0.0074660        
 14    257.4680000              0.0096460        
 15    128.5040000              0.0028900        
 16     65.4587000             -0.0248900        
 17     33.9144000             -0.0618080        
 18     17.7481000             -0.0362310        
 19      9.2726700              0.0754020        
 20      4.7523800              0.2236020        
 21      2.3310300              0.0248900        
 22      1.1301700             -0.3329940        
 23      0.5131080             -0.3418400        
 24      0.1304190              0.2850890        
 25      0.0638980              0.6232290        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000030        
  3 5914010.0000000             0.0000090        
  4 1552760.0000000             0.0000220        
  5 482395.0000000              0.0000470        
  6 169737.0000000              0.0000950        
  7  65376.0000000              0.0001960        
  8  26865.3000000              0.0003890        
  9  11564.1000000              0.0008580        
 10   5150.3200000              0.0017310        
 11   2355.6900000              0.0040390        
 12   1102.3400000              0.0074900        
 13    527.0590000              0.0154580        
 14    257.4680000              0.0157540        
 15    128.5040000              0.0122800        
 16     65.4587000             -0.0635560        
 17     33.9144000             -0.0871020        
 18     17.7481000             -0.1366610        
 19      9.2726700              0.2761530        
 20      4.7523800              0.2425900        
 21      2.3310300              0.4418520        
 22      1.1301700             -1.6460860        
 23      0.5131080              0.4232050        
 24      0.1304190              2.2050540        
 25      0.0638980             -1.4702530        
S   25
  1 178961000.0000000           0.0000020        
  2 28148200.0000000            0.0000050        
  3 5914010.0000000             0.0000150        
  4 1552760.0000000             0.0000330        
  5 482395.0000000              0.0000720        
  6 169737.0000000              0.0001460        
  7  65376.0000000              0.0003030        
  8  26865.3000000              0.0006030        
  9  11564.1000000              0.0013250        
 10   5150.3200000              0.0026850        
 11   2355.6900000              0.0062370        
 12   1102.3400000              0.0116520        
 13    527.0590000              0.0238440        
 14    257.4680000              0.0248310        
 15    128.5040000              0.0182700        
 16     65.4587000             -0.0979380        
 17     33.9144000             -0.1470280        
 18     17.7481000             -0.1982040        
 19      9.2726700              0.4388850        
 20      4.7523800              0.5325560        
 21      2.3310300              0.4184560        
 22      1.1301700             -3.6812570        
 23      0.5131080              3.8999050        
 24      0.1304190             -1.5926540        
 25      0.0638980             -0.6172010        
S   1
  1      0.0284770              1.0000000        
S   1
  1      0.0127000              1.0000000        
P   20
  1 1341110.0000000             0.0000150        
  2 223449.0000000              0.0000540        
  3  50289.1000000              0.0002060        
  4  14301.8000000              0.0007400        
  5   4864.9100000              0.0026260        
  6   1893.2600000              0.0089310        
  7    813.7200000              0.0278940        
  8    375.8210000              0.0769050        
  9    182.6910000              0.1751450        
 10     92.0455000              0.3045590        
 11     47.5245000              0.3498630        
 12     24.9323000              0.2044260        
 13     13.1975000              0.0401360        
 14      7.0011400             -0.0078320        
 15      3.6931800             -0.0064270        
 16      1.9177400             -0.0009580        
 17      0.9528720              0.0000480        
 18      0.4573390              0.0001060        
 19      0.1805310              0.0000040        
 20      0.0752910              0.0000030        
P   20
  1 1341110.0000000            -0.0000060        
  2 223449.0000000             -0.0000230        
  3  50289.1000000             -0.0000850        
  4  14301.8000000             -0.0003070        
  5   4864.9100000             -0.0010940        
  6   1893.2600000             -0.0037460        
  7    813.7200000             -0.0118550        
  8    375.8210000             -0.0335210        
  9    182.6910000             -0.0795270        
 10     92.0455000             -0.1460930        
 11     47.5245000             -0.1725010        
 12     24.9323000             -0.0163100        
 13     13.1975000              0.2987230        
 14      7.0011400              0.4925100        
 15      3.6931800              0.2883970        
 16      1.9177400              0.0435590        
 17      0.9528720             -0.0007580        
 18      0.4573390             -0.0025530        
 19      0.1805310             -0.0001370        
 20      0.0752910             -0.0000690        
P   20
  1 1341110.0000000             0.0000020        
  2 223449.0000000              0.0000090        
  3  50289.1000000              0.0000330        
  4  14301.8000000              0.0001170        
  5   4864.9100000              0.0004190        
  6   1893.2600000              0.0014340        
  7    813.7200000              0.0045490        
  8    375.8210000              0.0128910        
  9    182.6910000              0.0307600        
 10     92.0455000              0.0568800        
 11     47.5245000              0.0675890        
 12     24.9323000             -0.0012950        
 13     13.1975000             -0.1455070        
 14      7.0011400             -0.2719500        
 15      3.6931800             -0.1411130        
 16      1.9177400              0.3140090        
 17      0.9528720              0.5364510        
 18      0.4573390              0.3167580        
 19      0.1805310              0.0478290        
 20      0.0752910             -0.0030480        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000020        
  3  50289.1000000             -0.0000090        
  4  14301.8000000             -0.0000320        
  5   4864.9100000             -0.0001130        
  6   1893.2600000             -0.0003850        
  7    813.7200000             -0.0012240        
  8    375.8210000             -0.0034600        
  9    182.6910000             -0.0082870        
 10     92.0455000             -0.0152770        
 11     47.5245000             -0.0183080        
 12     24.9323000              0.0008390        
 13     13.1975000              0.0399270        
 14      7.0011400              0.0775620        
 15      3.6931800              0.0366150        
 16      1.9177400             -0.1039740        
 17      0.9528720             -0.2105780        
 18      0.4573390             -0.1018400        
 19      0.1805310              0.2924190        
 20      0.0752910              0.5825860        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000040        
  3  50289.1000000             -0.0000140        
  4  14301.8000000             -0.0000510        
  5   4864.9100000             -0.0001840        
  6   1893.2600000             -0.0006260        
  7    813.7200000             -0.0020040        
  8    375.8210000             -0.0056270        
  9    182.6910000             -0.0135870        
 10     92.0455000             -0.0247950        
 11     47.5245000             -0.0302750        
 12     24.9323000              0.0022220        
 13     13.1975000              0.0637270        
 14      7.0011400              0.1306480        
 15      3.6931800              0.0554210        
 16      1.9177400             -0.1678540        
 17      0.9528720             -0.3953770        
 18      0.4573390             -0.0513970        
 19      0.1805310              0.6680980        
 20      0.0752910              0.4465640        
P   20
  1 1341110.0000000            -0.0000020        
  2 223449.0000000             -0.0000060        
  3  50289.1000000             -0.0000230        
  4  14301.8000000             -0.0000820        
  5   4864.9100000             -0.0002990        
  6   1893.2600000             -0.0009910        
  7    813.7200000             -0.0032650        
  8    375.8210000             -0.0088730        
  9    182.6910000             -0.0222830        
 10     92.0455000             -0.0386770        
 11     47.5245000             -0.0517820        
 12     24.9323000              0.0107390        
 13     13.1975000              0.0937030        
 14      7.0011400              0.2422200        
 15      3.6931800              0.0577850        
 16      1.9177400             -0.3227350        
 17      0.9528720             -1.0029390        
 18      0.4573390              1.2167690        
 19      0.1805310              0.6344150        
 20      0.0752910             -1.0760190        
P   1
  1      0.0304790              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   13
  1   2481.8700000              0.0001470        
  2    697.0580000              0.0013290        
  3    257.4370000              0.0079720        
  4    111.6320000              0.0320700        
  5     52.8611000              0.0959310        
  6     26.2047000              0.2127570        
  7     13.2981000              0.3266690        
  8      6.8185100              0.3388620        
  9      3.4826200              0.1933480        
 10      1.7064600              0.0433620        
 11      0.8045800              0.0020080        
 12      0.3630130              0.0004560        
 13      0.1545410             -0.0000580        
D   13
  1   2481.8700000             -0.0000400        
  2    697.0580000             -0.0003670        
  3    257.4370000             -0.0022000        
  4    111.6320000             -0.0089220        
  5     52.8611000             -0.0269030        
  6     26.2047000             -0.0603340        
  7     13.2981000             -0.0893810        
  8      6.8185100             -0.0847870        
  9      3.4826200              0.0209990        
 10      1.7064600              0.2292420        
 11      0.8045800              0.3731980        
 12      0.3630130              0.3559500        
 13      0.1545410              0.2172430        
D   13
  1   2481.8700000              0.0000400        
  2    697.0580000              0.0003580        
  3    257.4370000              0.0021620        
  4    111.6320000              0.0087300        
  5     52.8611000              0.0265440        
  6     26.2047000              0.0593390        
  7     13.2981000              0.0873960        
  8      6.8185100              0.0756220        
  9      3.4826200             -0.0335180        
 10      1.7064600             -0.2818520        
 11      0.8045800             -0.3974720        
 12      0.3630130              0.0432450        
 13      0.1545410              0.5763730        
D   13
  1   2481.8700000             -0.0000630        
  2    697.0580000             -0.0005610        
  3    257.4370000             -0.0034270        
  4    111.6320000             -0.0137590        
  5     52.8611000             -0.0424820        
  6     26.2047000             -0.0941600        
  7     13.2981000             -0.1349860        
  8      6.8185100             -0.0964510        
  9      3.4826200              0.1169460        
 10      1.7064600              0.6181420        
 11      0.8045800              0.1134760        
 12      0.3630130             -0.9378260        
 13      0.1545410              0.0451100        
D   1
  1      0.0602240              1.0000000        
D   1
  1      0.0235000              1.0000000        
F   1
  1      1.3052000              1.0000000        
F   1
  1      0.3737000              1.0000000        
F   1
  1      0.1460000              1.0000000        
G   1
  1      0.8539000              1.0000000        
G   1
  1      0.3554000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ru
data:
RUTHENIUM
S   25
  1 192708000.0000000           0.0000430        
  2 30168800.0000000            0.0001140        
  3 6339070.0000000             0.0003130        
  4 1668940.0000000             0.0007100        
  5 520455.0000000              0.0015130        
  6 183800.0000000              0.0030630        
  7  70986.5000000              0.0061410        
  8  29211.0000000              0.0123760        
  9  12572.0000000              0.0254270        
 10   5590.3500000              0.0527840        
 11   2549.9300000              0.1071880        
 12   1189.0600000              0.1971680        
 13    566.3840000              0.2875370        
 14    275.7140000              0.2633660        
 15    137.2420000              0.1126640        
 16     69.8096000              0.0551880        
 17     36.1751000              0.0735220        
 18     18.9686000              0.0345760        
 19      9.9474900              0.0113210        
 20      5.1249000              0.0102330        
 21      2.5290800              0.0025890        
 22      1.2282400             -0.0000550        
 23      0.5576660              0.0000190        
 24      0.1412190             -0.0000110        
 25      0.0677970              0.0000070        
S   25
  1 192708000.0000000          -0.0000220        
  2 30168800.0000000           -0.0000570        
  3 6339070.0000000            -0.0001560        
  4 1668940.0000000            -0.0003550        
  5 520455.0000000             -0.0007580        
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  7  70986.5000000             -0.0030990        
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 10   5590.3500000             -0.0276330        
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 12   1189.0600000             -0.1149260        
 13    566.3840000             -0.1935060        
 14    275.7140000             -0.2260240        
 15    137.2420000             -0.0751900        
 16     69.8096000              0.3072190        
 17     36.1751000              0.5283130        
 18     18.9686000              0.2587270        
 19      9.9474900              0.0479550        
 20      5.1249000              0.0251360        
 21      2.5290800              0.0057370        
 22      1.2282400             -0.0001660        
 23      0.5576660             -0.0000400        
 24      0.1412190             -0.0000170        
 25      0.0677970              0.0000090        
S   25
  1 192708000.0000000           0.0000070        
  2 30168800.0000000            0.0000180        
  3 6339070.0000000             0.0000480        
  4 1668940.0000000             0.0001100        
  5 520455.0000000              0.0002340        
  6 183800.0000000              0.0004760        
  7  70986.5000000              0.0009620        
  8  29211.0000000              0.0019580        
  9  12572.0000000              0.0041060        
 10   5590.3500000              0.0087800        
 11   2549.9300000              0.0189830        
 12   1189.0600000              0.0389780        
 13    566.3840000              0.0712210        
 14    275.7140000              0.0925470        
 15    137.2420000              0.0306350        
 16     69.8096000             -0.2207380        
 17     36.1751000             -0.5059410        
 18     18.9686000             -0.2986110        
 19      9.9474900              0.4492940        
 20      5.1249000              0.7395890        
 21      2.5290800              0.1826020        
 22      1.2282400              0.0034490        
 23      0.5576660              0.0029330        
 24      0.1412190             -0.0002380        
 25      0.0677970              0.0002020        
S   25
  1 192708000.0000000          -0.0000030        
  2 30168800.0000000           -0.0000070        
  3 6339070.0000000            -0.0000190        
  4 1668940.0000000            -0.0000440        
  5 520455.0000000             -0.0000940        
  6 183800.0000000             -0.0001910        
  7  70986.5000000             -0.0003850        
  8  29211.0000000             -0.0007830        
  9  12572.0000000             -0.0016400        
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 13    566.3840000             -0.0282560        
 14    275.7140000             -0.0369270        
 15    137.2420000             -0.0121770        
 16     69.8096000              0.0918450        
 17     36.1751000              0.2302230        
 18     18.9686000              0.1396390        
 19      9.9474900             -0.2641930        
 20      5.1249000             -0.7396320        
 21      2.5290800             -0.1040900        
 22      1.2282400              0.8185660        
 23      0.5576660              0.5210750        
 24      0.1412190              0.0347060        
 25      0.0677970             -0.0119300        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000020        
  3 6339070.0000000             0.0000050        
  4 1668940.0000000             0.0000120        
  5 520455.0000000              0.0000250        
  6 183800.0000000              0.0000500        
  7  70986.5000000              0.0001010        
  8  29211.0000000              0.0002070        
  9  12572.0000000              0.0004320        
 10   5590.3500000              0.0009250        
 11   2549.9300000              0.0019940        
 12   1189.0600000              0.0040990        
 13    566.3840000              0.0074550        
 14    275.7140000              0.0097680        
 15    137.2420000              0.0032110        
 16     69.8096000             -0.0244990        
 17     36.1751000             -0.0621450        
 18     18.9686000             -0.0380230        
 19      9.9474900              0.0742580        
 20      5.1249000              0.2271880        
 21      2.5290800              0.0232510        
 22      1.2282400             -0.3313700        
 23      0.5576660             -0.3331680        
 24      0.1412190              0.2761890        
 25      0.0677970              0.6217720        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000040        
  3 6339070.0000000             0.0000100        
  4 1668940.0000000             0.0000240        
  5 520455.0000000              0.0000510        
  6 183800.0000000              0.0001020        
  7  70986.5000000              0.0002090        
  8  29211.0000000              0.0004130        
  9  12572.0000000              0.0009030        
 10   5590.3500000              0.0018220        
 11   2549.9300000              0.0042320        
 12   1189.0600000              0.0079160        
 13    566.3840000              0.0163240        
 14    275.7140000              0.0171370        
 15    137.2420000              0.0133870        
 16     69.8096000             -0.0661850        
 17     36.1751000             -0.0942920        
 18     18.9686000             -0.1476670        
 19      9.9474900              0.2896810        
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 21      2.5290800              0.4451830        
 22      1.2282400             -1.7607630        
 23      0.5576660              0.5554240        
 24      0.1412190              2.0537870        
 25      0.0677970             -1.3630430        
S   25
  1 192708000.0000000           0.0000020        
  2 30168800.0000000            0.0000050        
  3 6339070.0000000             0.0000150        
  4 1668940.0000000             0.0000340        
  5 520455.0000000              0.0000720        
  6 183800.0000000              0.0001470        
  7  70986.5000000              0.0002990        
  8  29211.0000000              0.0005990        
  9  12572.0000000              0.0012830        
 10   5590.3500000              0.0026640        
 11   2549.9300000              0.0059650        
 12   1189.0600000              0.0117050        
 13    566.3840000              0.0226950        
 14    275.7140000              0.0267800        
 15    137.2420000              0.0143220        
 16     69.8096000             -0.0845700        
 17     36.1751000             -0.1692620        
 18     18.9686000             -0.1546610        
 19      9.9474900              0.3409410        
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 22      1.2282400             -3.5119980        
 23      0.5576660              3.7906500        
 24      0.1412190             -1.5455260        
 25      0.0677970             -0.6554390        
S   1
  1      0.0299500              1.0000000        
S   1
  1      0.0132000              1.0000000        
P   20
  1 1452000.0000000             0.0000160        
  2 242440.0000000              0.0000550        
  3  54514.6000000              0.0002070        
  4  15468.7000000              0.0007370        
  5   5248.3500000              0.0025880        
  6   2037.6900000              0.0087400        
  7    874.0680000              0.0272330        
  8    403.0030000              0.0752290        
  9    195.5710000              0.1724010        
 10     98.3394000              0.3026450        
 11     50.6490000              0.3516500        
 12     26.4932000              0.2078440        
 13     13.9803000              0.0417110        
 14      7.3979000             -0.0064740        
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 16      2.0320700             -0.0007630        
 17      1.0086100              0.0000240        
 18      0.4819550              0.0000870        
 19      0.1850400             -0.0000010        
 20      0.0762420              0.0000030        
P   20
  1 1452000.0000000            -0.0000070        
  2 242440.0000000             -0.0000230        
  3  54514.6000000             -0.0000870        
  4  15468.7000000             -0.0003110        
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  7    874.0680000             -0.0117680        
  8    403.0030000             -0.0333290        
  9    195.5710000             -0.0795170        
 10     98.3394000             -0.1474680        
 11     50.6490000             -0.1762520        
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 13     13.9803000              0.3033190        
 14      7.3979000              0.4980940        
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 17      1.0086100             -0.0003950        
 18      0.4819550             -0.0022270        
 19      0.1850400             -0.0000530        
 20      0.0762420             -0.0000720        
P   20
  1 1452000.0000000             0.0000030        
  2 242440.0000000              0.0000090        
  3  54514.6000000              0.0000340        
  4  15468.7000000              0.0001210        
  5   5248.3500000              0.0004250        
  6   2037.6900000              0.0014470        
  7    874.0680000              0.0045760        
  8    403.0030000              0.0129940        
  9    195.5710000              0.0311910        
 10     98.3394000              0.0582600        
 11     50.6490000              0.0701040        
 12     26.4932000             -0.0003640        
 13     13.9803000             -0.1519670        
 14      7.3979000             -0.2839930        
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 16      2.0320700              0.3370420        
 17      1.0086100              0.5386410        
 18      0.4819550              0.2994580        
 19      0.1850400              0.0409390        
 20      0.0762420             -0.0031450        
P   20
  1 1452000.0000000            -0.0000010        
  2 242440.0000000             -0.0000020        
  3  54514.6000000             -0.0000090        
  4  15468.7000000             -0.0000310        
  5   5248.3500000             -0.0001090        
  6   2037.6900000             -0.0003710        
  7    874.0680000             -0.0011790        
  8    403.0030000             -0.0033370        
  9    195.5710000             -0.0080470        
 10     98.3394000             -0.0149740        
 11     50.6490000             -0.0181950        
 12     26.4932000              0.0006240        
 13     13.9803000              0.0399400        
 14      7.3979000              0.0778640        
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 16      2.0320700             -0.1072560        
 17      1.0086100             -0.2039290        
 18      0.4819550             -0.0832740        
 19      0.1850400              0.3000320        
 20      0.0762420              0.5736740        
P   20
  1 1452000.0000000            -0.0000010        
  2 242440.0000000             -0.0000040        
  3  54514.6000000             -0.0000160        
  4  15468.7000000             -0.0000560        
  5   5248.3500000             -0.0001990        
  6   2037.6900000             -0.0006690        
  7    874.0680000             -0.0021410        
  8    403.0030000             -0.0060000        
  9    195.5710000             -0.0146490        
 10     98.3394000             -0.0268340        
 11     50.6490000             -0.0335550        
 12     26.4932000              0.0026000        
 13     13.9803000              0.0699410        
 14      7.3979000              0.1473520        
 15      3.9002600              0.0507380        
 16      2.0320700             -0.1932550        
 17      1.0086100             -0.4491210        
 18      0.4819550              0.0579430        
 19      0.1850400              0.7129020        
 20      0.0762420              0.3585830        
P   20
  1 1452000.0000000            -0.0000020        
  2 242440.0000000             -0.0000060        
  3  54514.6000000             -0.0000240        
  4  15468.7000000             -0.0000860        
  5   5248.3500000             -0.0003100        
  6   2037.6900000             -0.0010280        
  7    874.0680000             -0.0033530        
  8    403.0030000             -0.0092050        
  9    195.5710000             -0.0230360        
 10     98.3394000             -0.0409390        
 11     50.6490000             -0.0542620        
 12     26.4932000              0.0090420        
 13     13.9803000              0.1061360        
 14      7.3979000              0.2503260        
 15      3.9002600              0.0712790        
 16      2.0320700             -0.4298390        
 17      1.0086100             -0.9502270        
 18      0.4819550              1.4174230        
 19      0.1850400              0.3255950        
 20      0.0762420             -1.0012110        
P   1
  1      0.0306540              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   13
  1   2542.3500000              0.0001550        
  2    743.0080000              0.0012990        
  3    276.9520000              0.0077890        
  4    119.6690000              0.0319190        
  5     56.3448000              0.0967720        
  6     27.8568000              0.2147630        
  7     14.1591000              0.3281110        
  8      7.2956800              0.3375300        
  9      3.7509000              0.1893340        
 10      1.8552600              0.0417930        
 11      0.8820590              0.0021340        
 12      0.4006220              0.0005090        
 13      0.1713310              0.0000170        
D   13
  1   2542.3500000             -0.0000450        
  2    743.0080000             -0.0003750        
  3    276.9520000             -0.0022530        
  4    119.6690000             -0.0093050        
  5     56.3448000             -0.0284640        
  6     27.8568000             -0.0638600        
  7     14.1591000             -0.0941660        
  8      7.2956800             -0.0878080        
  9      3.7509000              0.0272670        
 10      1.8552600              0.2411360        
 11      0.8820590              0.3760150        
 12      0.4006220              0.3479190        
 13      0.1713310              0.2077240        
D   13
  1   2542.3500000              0.0000440        
  2    743.0080000              0.0003680        
  3    276.9520000              0.0022170        
  4    119.6690000              0.0091350        
  5     56.3448000              0.0281380        
  6     27.8568000              0.0630960        
  7     14.1591000              0.0920460        
  8      7.2956800              0.0779820        
  9      3.7509000             -0.0415170        
 10      1.8552600             -0.3024460        
 11      0.8820590             -0.3908460        
 12      0.4006220              0.0893140        
 13      0.1713310              0.5664890        
D   13
  1   2542.3500000             -0.0000680        
  2    743.0080000             -0.0005600        
  3    276.9520000             -0.0034280        
  4    119.6690000             -0.0139950        
  5     56.3448000             -0.0439260        
  6     27.8568000             -0.0976020        
  7     14.1591000             -0.1382830        
  8      7.2956800             -0.0910010        
  9      3.7509000              0.1225150        
 10      1.8552600              0.6496760        
 11      0.8820590              0.0300890        
 12      0.4006220             -0.9156450        
 13      0.1713310              0.0780680        
D   1
  1      0.0668650              1.0000000        
D   1
  1      0.0261000              1.0000000        
F   1
  1      1.5074000              1.0000000        
F   1
  1      0.4386000              1.0000000        
F   1
  1      0.1757000              1.0000000        
G   1
  1      1.0050000              1.0000000        
G   1
  1      0.4376000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Rh
data:
RHODIUM
S   25
  1 213061000.0000000           0.0000410        
  2 33108100.0000000            0.0001100        
  3 6913440.0000000             0.0003010        
  4 1810980.0000000             0.0006840        
  5 562527.0000000              0.0014550        
  6 198074.0000000              0.0029370        
  7  76340.6000000              0.0058650        
  8  31371.2000000              0.0117520        
  9  13490.6000000              0.0239790        
 10   5996.1200000              0.0494270        
 11   2734.3600000              0.0997830        
 12   1274.8500000              0.1829520        
 13    607.1210000              0.2665460        
 14    295.4460000              0.2442990        
 15    146.9910000              0.1089850        
 16     74.7215000              0.0817500        
 17     38.6938000              0.1214490        
 18     20.2775000              0.0595890        
 19     10.6314000              0.0166220        
 20      5.4796100              0.0135140        
 21      2.7083200              0.0033440        
 22      1.3188500             -0.0000500        
 23      0.6001000              0.0000260        
 24      0.1559670             -0.0000120        
 25      0.0744570              0.0000070        
S   25
  1 213061000.0000000          -0.0000260        
  2 33108100.0000000           -0.0000680        
  3 6913440.0000000            -0.0001870        
  4 1810980.0000000            -0.0004250        
  5 562527.0000000             -0.0009060        
  6 198074.0000000             -0.0018340        
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 16     74.7215000              0.2900700        
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 19     10.6314000              0.0497270        
 20      5.4796100              0.0264760        
 21      2.7083200              0.0059780        
 22      1.3188500             -0.0000730        
 23      0.6001000             -0.0000110        
 24      0.1559670             -0.0000100        
 25      0.0744570              0.0000050        
S   25
  1 213061000.0000000           0.0000070        
  2 33108100.0000000            0.0000180        
  3 6913440.0000000             0.0000490        
  4 1810980.0000000             0.0001130        
  5 562527.0000000              0.0002400        
  6 198074.0000000              0.0004870        
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 13    607.1210000              0.0710510        
 14    295.4460000              0.0935170        
 15    146.9910000              0.0345320        
 16     74.7215000             -0.2152480        
 17     38.6938000             -0.5084960        
 18     20.2775000             -0.3143880        
 19     10.6314000              0.4448340        
 20      5.4796100              0.7468470        
 21      2.7083200              0.1836460        
 22      1.3188500              0.0040760        
 23      0.6001000              0.0030130        
 24      0.1559670             -0.0001950        
 25      0.0744570              0.0001740        
S   25
  1 213061000.0000000          -0.0000030        
  2 33108100.0000000           -0.0000070        
  3 6913440.0000000            -0.0000200        
  4 1810980.0000000            -0.0000450        
  5 562527.0000000             -0.0000970        
  6 198074.0000000             -0.0001970        
  7  76340.6000000             -0.0003960        
  8  31371.2000000             -0.0008020        
  9  13490.6000000             -0.0016680        
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 16     74.7215000              0.0904650        
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 19     10.6314000             -0.2678420        
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 23      0.6001000              0.5128390        
 24      0.1559670              0.0339050        
 25      0.0744570             -0.0105950        
S   25
  1 213061000.0000000           0.0000010        
  2 33108100.0000000            0.0000020        
  3 6913440.0000000             0.0000050        
  4 1810980.0000000             0.0000120        
  5 562527.0000000              0.0000250        
  6 198074.0000000              0.0000510        
  7  76340.6000000              0.0001020        
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 16     74.7215000             -0.0236740        
 17     38.6938000             -0.0620100        
 18     20.2775000             -0.0400480        
 19     10.6314000              0.0739010        
 20      5.4796100              0.2301930        
 21      2.7083200              0.0170700        
 22      1.3188500             -0.3280960        
 23      0.6001000             -0.3218680        
 24      0.1559670              0.2411940        
 25      0.0744570              0.6189110        
S   25
  1 213061000.0000000           0.0000010        
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  3 6913440.0000000             0.0000110        
  4 1810980.0000000             0.0000240        
  5 562527.0000000              0.0000520        
  6 198074.0000000              0.0001050        
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 20      5.4796100              0.3220610        
 21      2.7083200              0.3821780        
 22      1.3188500             -1.7098630        
 23      0.6001000              0.5355740        
 24      0.1559670              1.8982110        
 25      0.0744570             -1.0618010        
S   25
  1 213061000.0000000           0.0000020        
  2 33108100.0000000            0.0000050        
  3 6913440.0000000             0.0000150        
  4 1810980.0000000             0.0000340        
  5 562527.0000000              0.0000730        
  6 198074.0000000              0.0001480        
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  8  31371.2000000              0.0006000        
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 10   5996.1200000              0.0026480        
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 12   1274.8500000              0.0116230        
 13    607.1210000              0.0217940        
 14    295.4460000              0.0277530        
 15    146.9910000              0.0124740        
 16     74.7215000             -0.0746090        
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 18     20.2775000             -0.1293220        
 19     10.6314000              0.2791770        
 20      5.4796100              0.7646760        
 21      2.7083200              0.1366130        
 22      1.3188500             -3.3264750        
 23      0.6001000              3.5716640        
 24      0.1559670             -1.0829530        
 25      0.0744570             -1.1848310        
S   1
  1      0.0322560              1.0000000        
S   1
  1      0.0140000              1.0000000        
P   20
  1 1586690.0000000             0.0000160        
  2 267081.0000000              0.0000550        
  3  60148.6000000              0.0002050        
  4  17023.4000000              0.0007190        
  5   5748.1500000              0.0025060        
  6   2219.3800000              0.0084360        
  7    947.0230000              0.0263400        
  8    434.7980000              0.0731120        
  9    210.4080000              0.1687330        
 10    105.6630000              0.2988080        
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 17      1.0946600              0.0000190        
 18      0.5241370              0.0000800        
 19      0.2041700             -0.0000010        
 20      0.0842270              0.0000030        
P   20
  1 1586690.0000000            -0.0000070        
  2 267081.0000000             -0.0000240        
  3  60148.6000000             -0.0000870        
  4  17023.4000000             -0.0003070        
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  7    947.0230000             -0.0115130        
  8    434.7980000             -0.0327470        
  9    210.4080000             -0.0786590        
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 18      0.5241370             -0.0021210        
 19      0.2041700             -0.0000250        
 20      0.0842270             -0.0000780        
P   20
  1 1586690.0000000             0.0000030        
  2 267081.0000000              0.0000090        
  3  60148.6000000              0.0000340        
  4  17023.4000000              0.0001210        
  5   5748.1500000              0.0004220        
  6   2219.3800000              0.0014320        
  7    947.0230000              0.0045390        
  8    434.7980000              0.0129400        
  9    210.4080000              0.0312870        
 10    105.6630000              0.0589230        
 11     54.4289000              0.0722720        
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 18      0.5241370              0.2966600        
 19      0.2041700              0.0408550        
 20      0.0842270             -0.0027560        
P   20
  1 1586690.0000000            -0.0000010        
  2 267081.0000000             -0.0000020        
  3  60148.6000000             -0.0000090        
  4  17023.4000000             -0.0000320        
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  6   2219.3800000             -0.0003750        
  7    947.0230000             -0.0011920        
  8    434.7980000             -0.0033900        
  9    210.4080000             -0.0082320        
 10    105.6630000             -0.0154520        
 11     54.4289000             -0.0191290        
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 17      1.0946600             -0.2104010        
 18      0.5241370             -0.0819680        
 19      0.2041700              0.3056700        
 20      0.0842270              0.5729850        
P   20
  1 1586690.0000000            -0.0000010        
  2 267081.0000000             -0.0000040        
  3  60148.6000000             -0.0000170        
  4  17023.4000000             -0.0000580        
  5   5748.1500000             -0.0002060        
  6   2219.3800000             -0.0006920        
  7    947.0230000             -0.0022160        
  8    434.7980000             -0.0062500        
  9    210.4080000             -0.0153280        
 10    105.6630000             -0.0284180        
 11     54.4289000             -0.0360050        
 12     28.5070000              0.0007390        
 13     15.0732000              0.0737870        
 14      7.9939600              0.1567930        
 15      4.2223900              0.0600870        
 16      2.2020000             -0.2175560        
 17      1.0946600             -0.4730350        
 18      0.5241370              0.1035350        
 19      0.2041700              0.7017780        
 20      0.0842270              0.3464260        
P   20
  1 1586690.0000000            -0.0000020        
  2 267081.0000000             -0.0000070        
  3  60148.6000000             -0.0000250        
  4  17023.4000000             -0.0000880        
  5   5748.1500000             -0.0003100        
  6   2219.3800000             -0.0010360        
  7    947.0230000             -0.0033490        
  8    434.7980000             -0.0093580        
  9    210.4080000             -0.0232300        
 10    105.6630000             -0.0424770        
 11     54.4289000             -0.0555120        
 12     28.5070000              0.0040330        
 13     15.0732000              0.1140780        
 14      7.9939600              0.2471390        
 15      4.2223900              0.1068440        
 16      2.2020000             -0.5122660        
 17      1.0946600             -0.8892670        
 18      0.5241370              1.4465490        
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 20      0.0842270             -0.9632110        
P   1
  1      0.0337970              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   13
  1   2792.9700000              0.0001480        
  2    802.4110000              0.0012730        
  3    296.3820000              0.0077100        
  4    127.7060000              0.0316940        
  5     60.1914000              0.0960960        
  6     29.8287000              0.2138980        
  7     15.1894000              0.3292350        
  8      7.8338600              0.3391930        
  9      4.0347000              0.1871580        
 10      2.0068000              0.0403970        
 11      0.9589780              0.0022420        
 12      0.4378690              0.0005540        
 13      0.1884020              0.0000850        
D   13
  1   2792.9700000             -0.0000440        
  2    802.4110000             -0.0003830        
  3    296.3820000             -0.0023210        
  4    127.7060000             -0.0096160        
  5     60.1914000             -0.0294330        
  6     29.8287000             -0.0662430        
  7     15.1894000             -0.0985040        
  8      7.8338600             -0.0913240        
  9      4.0347000              0.0328620        
 10      2.0068000              0.2523970        
 11      0.9589780              0.3790570        
 12      0.4378690              0.3402040        
 13      0.1884020              0.1979080        
D   13
  1   2792.9700000              0.0000450        
  2    802.4110000              0.0003860        
  3    296.3820000              0.0023570        
  4    127.7060000              0.0097350        
  5     60.1914000              0.0300490        
  6     29.8287000              0.0675750        
  7     15.1894000              0.0991900        
  8      7.8338600              0.0820690        
  9      4.0347000             -0.0522600        
 10      2.0068000             -0.3346050        
 11      0.9589780             -0.3769710        
 12      0.4378690              0.1428500        
 13      0.1884020              0.5594820        
D   13
  1   2792.9700000             -0.0000660        
  2    802.4110000             -0.0005640        
  3    296.3820000             -0.0034690        
  4    127.7060000             -0.0142960        
  5     60.1914000             -0.0446570        
  6     29.8287000             -0.1006180        
  7     15.1894000             -0.1407410        
  8      7.8338600             -0.0900030        
  9      4.0347000              0.1367850        
 10      2.0068000              0.6761930        
 11      0.9589780             -0.0619930        
 12      0.4378690             -0.9061800        
 13      0.1884020              0.1541380        
D   1
  1      0.0739060              1.0000000        
D   1
  1      0.0290000              1.0000000        
F   1
  1      1.7214000              1.0000000        
F   1
  1      0.5080000              1.0000000        
F   1
  1      0.2080000              1.0000000        
G   1
  1      1.1557000              1.0000000        
G   1
  1      0.5224000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Pd
data:
PALLADIUM
S   25
  1 231969000.0000000           0.0000380        
  2 35874000.0000000            0.0001010        
  3 7478510.0000000             0.0002770        
  4 1959210.0000000             0.0006270        
  5 609102.0000000              0.0013270        
  6 214666.0000000              0.0026660        
  7  82772.4000000              0.0052950        
  8  34005.0000000              0.0105500        
  9  14607.5000000              0.0213990        
 10   6480.7700000              0.0438700        
 11   2948.3800000              0.0881890        
 12   1370.9700000              0.1612280        
 13    651.1640000              0.2336970        
 14    316.1400000              0.2112000        
 15    157.0170000              0.0981310        
 16     79.7486000              0.1177200        
 17     41.3024000              0.1899080        
 18     21.6692000              0.0967030        
 19     11.3839000              0.0244730        
 20      5.8823900              0.0181770        
 21      2.9146900              0.0045120        
 22      1.4182000             -0.0000340        
 23      0.6431560              0.0000380        
 24      0.1621260             -0.0000120        
 25      0.0757470              0.0000080        
S   25
  1 231969000.0000000          -0.0000310        
  2 35874000.0000000           -0.0000840        
  3 7478510.0000000            -0.0002290        
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 22      1.4182000             -0.0000090        
 23      0.6431560              0.0000170        
 24      0.1621260             -0.0000070        
 25      0.0757470              0.0000040        
S   25
  1 231969000.0000000           0.0000070        
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 22      1.4182000              0.0046220        
 23      0.6431560              0.0031330        
 24      0.1621260             -0.0001840        
 25      0.0757470              0.0001700        
S   25
  1 231969000.0000000          -0.0000030        
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 23      0.6431560              0.5096530        
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 25      0.0757470             -0.0101750        
S   25
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  3 7478510.0000000             0.0000050        
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 23      0.6431560             -0.3116880        
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S   25
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S   25
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 25      0.0757470             -1.3578290        
S   1
  1      0.0328330              1.0000000        
S   1
  1      0.0142000              1.0000000        
P   20
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  6   2413.2000000              0.0081640        
  7   1023.6400000              0.0255500        
  8    467.7130000              0.0713070        
  9    225.4890000              0.1658860        
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 17      1.1661100              0.0000100        
 18      0.5548970              0.0000700        
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 20      0.0843150              0.0000030        
P   20
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  3  66902.0000000             -0.0000870        
  4  18783.6000000             -0.0003030        
  5   6293.7500000             -0.0010540        
  6   2413.2000000             -0.0035630        
  7   1023.6400000             -0.0112890        
  8    467.7130000             -0.0322750        
  9    225.4890000             -0.0781140        
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 18      0.5548970             -0.0019180        
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P   20
  1 1789180.0000000             0.0000030        
  2 299329.0000000              0.0000090        
  3  66902.0000000              0.0000340        
  4  18783.6000000              0.0001200        
  5   6293.7500000              0.0004190        
  6   2413.2000000              0.0014180        
  7   1023.6400000              0.0045040        
  8    467.7130000              0.0129120        
  9    225.4890000              0.0314570        
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 18      0.5548970              0.2883550        
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P   20
  1 1789180.0000000            -0.0000010        
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  4  18783.6000000             -0.0000290        
  5   6293.7500000             -0.0001010        
  6   2413.2000000             -0.0003430        
  7   1023.6400000             -0.0010910        
  8    467.7130000             -0.0031190        
  9    225.4890000             -0.0076350        
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 18      0.5548970             -0.0731510        
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P   20
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  4  18783.6000000             -0.0000610        
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  9    225.4890000             -0.0160240        
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 18      0.5548970              0.1936520        
 19      0.2085100              0.7150110        
 20      0.0843150              0.2874470        
P   20
  1 1789180.0000000            -0.0000020        
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  3  66902.0000000             -0.0000250        
  4  18783.6000000             -0.0000880        
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  8    467.7130000             -0.0094370        
  9    225.4890000             -0.0234360        
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 15      4.4978300              0.1276570        
 16      2.3502500             -0.5961590        
 17      1.1661100             -0.8149230        
 18      0.5548970              1.5239800        
 19      0.2085100              0.0450920        
 20      0.0843150             -0.8914620        
P   1
  1      0.0331870              1.0000000        
P   1
  1      0.0131000              1.0000000        
D   13
  1   2997.7400000              0.0001490        
  2    844.3660000              0.0013050        
  3    311.0270000              0.0078450        
  4    134.3580000              0.0320110        
  5     63.4728000              0.0970150        
  6     31.4809000              0.2161310        
  7     16.0390000              0.3321270        
  8      8.2870200              0.3383070        
  9      4.2820600              0.1815710        
 10      2.1441800              0.0380030        
 11      1.0309300              0.0022880        
 12      0.4734790              0.0005860        
 13      0.2050020              0.0001450        
D   13
  1   2997.7400000             -0.0000460        
  2    844.3660000             -0.0004060        
  3    311.0270000             -0.0024450        
  4    134.3580000             -0.0100510        
  5     63.4728000             -0.0307790        
  6     31.4809000             -0.0692950        
  7     16.0390000             -0.1029380        
  8      8.2870200             -0.0931070        
  9      4.2820600              0.0412880        
 10      2.1441800              0.2637390        
 11      1.0309300              0.3806010        
 12      0.4734790              0.3321510        
 13      0.2050020              0.1880590        
D   13
  1   2997.7400000              0.0000480        
  2    844.3660000              0.0004230        
  3    311.0270000              0.0025630        
  4    134.3580000              0.0105060        
  5     63.4728000              0.0324630        
  6     31.4809000              0.0730710        
  7     16.0390000              0.1066220        
  8      8.2870200              0.0845210        
  9      4.2820600             -0.0679160        
 10      2.1441800             -0.3669810        
 11      1.0309300             -0.3563970        
 12      0.4734790              0.1955400        
 13      0.2050020              0.5516610        
D   13
  1   2997.7400000             -0.0000680        
  2    844.3660000             -0.0005980        
  3    311.0270000             -0.0036080        
  4    134.3580000             -0.0149140        
  5     63.4728000             -0.0461640        
  6     31.4809000             -0.1056720        
  7     16.0390000             -0.1426130        
  8      8.2870200             -0.0885790        
  9      4.2820600              0.1635420        
 10      2.1441800              0.6958060        
 11      1.0309300             -0.1681640        
 12      0.4734790             -0.8831910        
 13      0.2050020              0.2342950        
D   1
  1      0.0809930              1.0000000        
D   1
  1      0.0320000              1.0000000        
F   1
  1      1.9443000              1.0000000        
F   1
  1      0.5809000              1.0000000        
F   1
  1      0.2424000              1.0000000        
G   1
  1      1.3187000              1.0000000        
G   1
  1      0.6192000              1.0000000        


name: aug-cc-pVTZ-NR MP2 Fitting
description: N/A
elt: Cu
data:
COPPER
S   1
  1   1988.3943331              1.0000000        
S   1
  1   1097.6031754              1.0000000        
S   1
  1    487.37158842             1.0000000        
S   1
  1    188.99742634             1.0000000        
S   1
  1     88.296191501            1.0000000        
S   1
  1     41.741334470            1.0000000        
S   1
  1     11.348373925            1.0000000        
S   1
  1      5.1923780765           1.0000000        
S   1
  1      2.4030648701           1.0000000        
S   1
  1      1.3038730326           1.0000000        
S   1
  1      0.65644550072          1.0000000        
S   1
  1      0.26113372227          1.0000000        
S   1
  1      0.15633704072          1.0000000        
S   1
  1      0.88486014425E-01            1.0000000        
P   1
  1    544.37919462             1.0000000        
P   1
  1    169.94322582             1.0000000        
P   1
  1     46.298367013            1.0000000        
P   1
  1     18.709714488            1.0000000        
P   1
  1     10.919530994            1.0000000        
P   1
  1      5.0483956555           1.0000000        
P   1
  1      2.4642084474           1.0000000        
P   1
  1      1.3923761990           1.0000000        
P   1
  1      0.60123889547          1.0000000        
P   1
  1      0.28424810230          1.0000000        
P   1
  1      0.15664865850          1.0000000        
P   1
  1      0.81004901106E-01            1.0000000        
D   1
  1    143.23328678             1.0000000        
D   1
  1     35.079616426            1.0000000        
D   1
  1     14.343136515            1.0000000        
D   1
  1      8.8025938565           1.0000000        
D   1
  1      4.4503116420           1.0000000        
D   1
  1      2.3012884705           1.0000000        
D   1
  1      1.4858584764           1.0000000        
D   1
  1      0.66345007976          1.0000000        
D   1
  1      0.27729818911          1.0000000        
D   1
  1      0.11908368207          1.0000000        
F   1
  1     60.474497698            1.0000000        
F   1
  1     11.827049352            1.0000000        
F   1
  1      7.9573367981           1.0000000        
F   1
  1      4.0635911790           1.0000000        
F   1
  1      2.0095561906           1.0000000        
F   1
  1      0.92059006097          1.0000000        
F   1
  1      0.54126196249          1.0000000        
F   1
  1      0.27300843581          1.0000000        
G   1
  1     23.344023298            1.0000000        
G   1
  1      8.2968740238           1.0000000        
G   1
  1      4.8120260243           1.0000000        
G   1
  1      2.1788387939           1.0000000        
G   1
  1      1.1629222161           1.0000000        
G   1
  1      0.44552809251          1.0000000        
H   1
  1     11.128671950            1.0000000        
H   1
  1      5.7735262465           1.0000000        
H   1
  1      2.4851190600           1.0000000        
H   1
  1      0.91520105376          1.0000000        
I   1
  1      8.8104756455           1.0000000        
I   1
  1      4.7968659582           1.0000000        
I   1
  1      2.2959415073           1.0000000        


name: aug-cc-pVTZ-NR
description: VTZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             8.147221E-06     
  2 406598.4000000              6.334788E-05     
  3  92530.0400000              0.0003330384     
  4  26207.9200000              0.001404055      
  5   8549.4290000              0.005081725      
  6   3085.9750000              0.01626926       
  7   1203.1720000              0.04624577       
  8    498.4869000              0.1137223        
  9    216.7360000              0.2257636        
 10     97.8747600              0.3106700        
 11     45.2043300              0.2191906        
 12     20.2118700              0.07215879       
 13      9.5747510              0.1187030        
 14      4.5403460              0.1220532        
 15      1.9956870              0.02136795       
 16      0.9422150             -0.0005357246     
 17      0.4178450              0.0002435774     
 18      0.0957610             -8.796617E-05     
 19      0.0513510              7.878246E-05     
S   19
  1 2715278.0000000            -4.722109E-06     
  2 406598.4000000             -3.671829E-05     
  3  92530.0400000             -0.0001930883     
  4  26207.9200000             -0.000814687      
  5   8549.4290000             -0.002955526      
  6   3085.9750000             -0.009520035      
  7   1203.1720000             -0.02746858       
  8    498.4869000             -0.06991528       
  9    216.7360000             -0.1499251        
 10     97.8747600             -0.2459153        
 11     45.2043300             -0.2401293        
 12     20.2118700              0.03567987       
 13      9.5747510              0.4915023        
 14      4.5403460              0.4911381        
 15      1.9956870              0.09120633       
 16      0.9422150             -0.005356723      
 17      0.4178450              0.0008812836     
 18      0.0957610             -0.0007605536     
 19      0.0513510              0.0006340116     
S   19
  1 2715278.0000000             9.139905E-07     
  2 406598.4000000              7.108513E-06     
  3  92530.0400000              3.738126E-05     
  4  26207.9200000              0.0001578828     
  5   8549.4290000              0.0005737686     
  6   3085.9750000              0.001859244      
  7   1203.1720000              0.005433182      
  8    498.4869000              0.01425387       
  9    216.7360000              0.03246144       
 10     97.8747600              0.06003454       
 11     45.2043300              0.06916105       
 12     20.2118700             -0.02113084       
 13      9.5747510             -0.2666832        
 14      4.5403460             -0.4367591        
 15      1.9956870              0.06498243       
 16      0.9422150              0.7009599        
 17      0.4178450              0.4515562        
 18      0.0957610              0.0301191        
 19      0.0513510             -0.0132948        
S   19
  1 2715278.0000000            -2.201951E-07     
  2 406598.4000000             -1.711419E-06     
  3  92530.0400000             -9.008469E-06     
  4  26207.9200000             -3.799997E-05     
  5   8549.4290000             -0.0001383227     
  6   3085.9750000             -0.0004473692     
  7   1203.1720000             -0.001310691      
  8    498.4869000             -0.00342986       
  9    216.7360000             -0.007847579      
 10     97.8747600             -0.01447189       
 11     45.2043300             -0.01690669       
 12     20.2118700              0.005396115      
 13      9.5747510              0.06671062       
 14      4.5403460              0.1178356        
 15      1.9956870             -0.02738134       
 16      0.9422150             -0.2260149        
 17      0.4178450             -0.3073539        
 18      0.0957610              0.2544054        
 19      0.0513510              0.5981590        
S   19
  1 2715278.0000000            -3.757238E-07     
  2 406598.4000000             -2.981907E-06     
  3  92530.0400000             -1.522586E-05     
  4  26207.9200000             -6.684686E-05     
  5   8549.4290000             -0.0002313129     
  6   3085.9750000             -0.0007959729     
  7   1203.1720000             -0.002161961      
  8    498.4869000             -0.006206459      
  9    216.7360000             -0.01261905       
 10     97.8747600             -0.02739459       
 11     45.2043300             -0.02336516       
 12     20.2118700             -0.005734627      
 13      9.5747510              0.1536025        
 14      4.5403460              0.1447100        
 15      1.9956870              0.09359699       
 16      0.9422150             -0.8687730        
 17      0.4178450              0.02114597       
 18      0.0957610              2.2754980        
 19      0.0513510             -1.1907700        
S   19
  1 2715278.0000000            -5.962768E-07     
  2 406598.4000000             -4.822853E-06     
  3  92530.0400000             -2.395005E-05     
  4  26207.9200000             -0.0001090335     
  5   8549.4290000             -0.0003601944     
  6   3085.9750000             -0.001311233      
  7   1203.1720000             -0.003322435      
  8    498.4869000             -0.0103752        
  9    216.7360000             -0.01892174       
 10     97.8747600             -0.04755287       
 11     45.2043300             -0.02931692       
 12     20.2118700             -0.03090088       
 13      9.5747510              0.3074597        
 14      4.5403460              0.1803100        
 15      1.9956870              0.2358178        
 16      0.9422150             -2.3885440        
 17      0.4178450              2.3294070        
 18      0.0957610              0.9918252        
 19      0.0513510             -3.5072400        
S   1
  1      0.0238780              1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1  10592.1900000              0.0000450        
  2   2507.5330000              0.0004010        
  3    814.4571000              0.0023020        
  4    311.5195000              0.0100370        
  5    131.9617000              0.0349540        
  6     59.9871800              0.0979090        
  7     28.6625000              0.2106800        
  8     14.1085100              0.3300930        
  9      7.1037060              0.3310270        
 10      3.6092000              0.1579600        
 11      1.7760700              0.0220990        
 12      0.8547600             -0.0016050        
 13      0.4022390             -0.0013260        
 14      0.1546650             -0.0002800        
 15      0.0649450              0.0000340        
P   15
  1  10592.1900000             -0.0000150        
  2   2507.5330000             -0.0001310        
  3    814.4571000             -0.0007570        
  4    311.5195000             -0.0033180        
  5    131.9617000             -0.0117060        
  6     59.9871800             -0.0336040        
  7     28.6625000             -0.0748790        
  8     14.1085100             -0.1225480        
  9      7.1037060             -0.1302760        
 10      3.6092000              0.0145960        
 11      1.7760700              0.3091840        
 12      0.8547600              0.4629980        
 13      0.4022390              0.3049570        
 14      0.1546650              0.0508780        
 15      0.0649450             -0.0044930        
P   15
  1  10592.1900000             -0.0000040        
  2   2507.5330000             -0.0000320        
  3    814.4571000             -0.0001850        
  4    311.5195000             -0.0008080        
  5    131.9617000             -0.0028700        
  6     59.9871800             -0.0082070        
  7     28.6625000             -0.0184730        
  8     14.1085100             -0.0301010        
  9      7.1037060             -0.0329430        
 10      3.6092000              0.0079580        
 11      1.7760700              0.0879930        
 12      0.8547600              0.1523770        
 13      0.4022390              0.0971700        
 14      0.1546650             -0.2569380        
 15      0.0649450             -0.5878150        
P   15
  1  10592.1900000              0.0000040        
  2   2507.5330000              0.0000390        
  3    814.4571000              0.0002210        
  4    311.5195000              0.0009840        
  5    131.9617000              0.0034230        
  6     59.9871800              0.0099930        
  7     28.6625000              0.0219160        
  8     14.1085100              0.0370080        
  9      7.1037060              0.0377940        
 10      3.6092000             -0.0043790        
 11      1.7760700             -0.1101640        
 12      0.8547600             -0.1610170        
 13      0.4022390             -0.1824820        
 14      0.1546650              0.3886110        
 15      0.0649450              0.6911000        
P   15
  1  10592.1900000              0.0000090        
  2   2507.5330000              0.0000740        
  3    814.4571000              0.0004790        
  4    311.5195000              0.0018690        
  5    131.9617000              0.0074240        
  6     59.9871800              0.0187630        
  7     28.6625000              0.0487170        
  8     14.1085100              0.0654400        
  9      7.1037060              0.1079480        
 10      3.6092000             -0.0587130        
 11      1.7760700             -0.1703060        
 12      0.8547600             -0.7549770        
 13      0.4022390              0.6201170        
 14      0.1546650              1.1675480        
 15      0.0649450             -1.0095310        
P   1
  1      0.0263590              1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1     50.5138000              0.0042660        
  2     14.7405000              0.0277080        
  3      5.1950000              0.1000010        
  4      2.0284600              0.2315810        
  5      0.8040860              0.3460330        
  6      0.3076890              0.3733740        
  7      0.1113920              0.2642880        
D   7
  1     50.5138000             -0.0043890        
  2     14.7405000             -0.0283630        
  3      5.1950000             -0.1051370        
  4      2.0284600             -0.2348540        
  5      0.8040860             -0.3246090        
  6      0.3076890             -0.0642890        
  7      0.1113920              0.6017490        
D   7
  1     50.5138000              0.0058590        
  2     14.7405000              0.0373230        
  3      5.1950000              0.1419240        
  4      2.0284600              0.3068960        
  5      0.8040860              0.3081890        
  6      0.3076890             -0.7607170        
  7      0.1113920             -0.2047750        
D   1
  1      0.0373520              1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      0.7267000              1.0000000        
F   1
  1      0.1665000              1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      0.4187000              1.0000000        
G   1
  1      9.473000E-02           1.0000000        


name: aug-cc-pVTZ-NR
description: VTZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1 61771940.0000000            4.128667E-06     
  2 924929.5000000              3.210767E-05     
  3 210486.5000000              0.0001688416     
  4  59620.0500000              0.000712852      
  5  19450.7600000              0.002589325      
  6   7022.0560000              0.00837735       
  7   2738.7630000              0.02441725       
  8   1135.8140000              0.06365135       
  9    495.0923000              0.1427618        
 10    224.7487000              0.2541275        
 11    105.3836000              0.3009512        
 12     50.1935900              0.1766513        
 13     22.2495700              0.06936709       
 14     10.9826500              0.1179579        
 15      5.3836650              0.08916187       
 16      2.3436850              0.0110363        
 17      1.1052020             -0.0003546048     
 18      0.4878480              0.0001057311     
 19      0.0895990              1.11464E-05      
S   19
  1 61771940.0000000           -2.301772E-06     
  2 924929.5000000             -1.789536E-05     
  3 210486.5000000             -9.416174E-05     
  4  59620.0500000             -0.0003975074     
  5  19450.7600000             -0.001447025      
  6   7022.0560000             -0.004694622      
  7   2738.7630000             -0.01382387       
  8   1135.8140000             -0.03674643       
  9    495.0923000             -0.08647185       
 10    224.7487000             -0.1696735        
 11    105.3836000             -0.2507089        
 12     50.1935900             -0.1961156        
 13     22.2495700              0.1457244        
 14     10.9826500              0.5466706        
 15      5.3836650              0.3979434        
 16      2.3436850              0.05277007       
 17      1.1052020             -0.004374537      
 18      0.4878480              0.0003204035     
 19      0.0895990             -5.142077E-05     
S   19
  1 61771940.0000000            4.862957E-07     
  2 924929.5000000              3.776645E-06     
  3 210486.5000000              1.990664E-05     
  4  59620.0500000              8.389164E-05     
  5  19450.7600000              0.0003065706     
  6   7022.0560000              0.0009944107     
  7   2738.7630000              0.002961959      
  8   1135.8140000              0.007969473      
  9    495.0923000              0.01955017       
 10    224.7487000              0.04085035       
 11    105.3836000              0.06929003       
 12     50.1935900              0.06146984       
 13     22.2495700             -0.06981302       
 14     10.9826500             -0.3517597        
 15      5.3836650             -0.3828629        
 16      2.3436850              0.2676401        
 17      1.1052020              0.7175950        
 18      0.4878480              0.3020814        
 19      0.0895990              0.007749514      
S   19
  1 61771940.0000000           -1.102451E-07     
  2 924929.5000000             -8.530233E-07     
  3 210486.5000000             -4.520358E-06     
  4  59620.0500000             -1.891612E-05     
  5  19450.7600000             -6.974344E-05     
  6   7022.0560000             -0.0002237867     
  7   2738.7630000             -0.0006754503     
  8   1135.8140000             -0.001789346      
  9    495.0923000             -0.004477858      
 10    224.7487000             -0.009140144      
 11    105.3836000             -0.01610562       
 12     50.1935900             -0.0133487        
 13     22.2495700              0.01426027       
 14     10.9826500              0.0893169        
 15      5.3836650              0.08885279       
 16      2.3436850             -0.06368776       
 17      1.1052020             -0.2783262        
 18      0.4878480             -0.1830071        
 19      0.0895990              0.6790937        
S   19
  1 61771940.0000000            2.179893E-07     
  2 924929.5000000              1.61294E-06      
  3 210486.5000000              9.111842E-06     
  4  59620.0500000              3.500645E-05     
  5  19450.7600000              0.0001435315     
  6   7022.0560000              0.0004035896     
  7   2738.7630000              0.001425177      
  8   1135.8140000              0.003114009      
  9    495.0923000              0.009814449      
 10    224.7487000              0.01474698       
 11    105.3836000              0.03911512       
 12     50.1935900              0.009170888      
 13     22.2495700              0.01559878       
 14     10.9826500             -0.2816844        
 15      5.3836650             -0.006895261      
 16      2.3436850             -0.1769781        
 17      1.1052020              1.4430610        
 18      0.4878480             -1.0293180        
 19      0.0895990             -1.3076670        
S   19
  1 61771940.0000000           -3.669010E-07     
  2 924929.5000000             -2.768353E-06     
  3 210486.5000000             -1.521014E-05     
  4  59620.0500000             -6.066288E-05     
  5  19450.7600000             -0.0002374959     
  6   7022.0560000             -0.0007077071     
  7   2738.7630000             -0.002334389      
  8   1135.8140000             -0.005555062      
  9    495.0923000             -0.01585142       
 10    224.7487000             -0.02737888       
 11    105.3836000             -0.06106975       
 12     50.1935900             -0.02887227       
 13     22.2495700              0.006813714      
 14     10.9826500              0.4327670        
 15      5.3836650              0.1968410        
 16      2.3436850             -0.3764657        
 17      1.1052020             -2.0524730        
 18      0.4878480              2.9757410        
 19      0.0895990             -2.2117050        
S   1
  1      0.0334230              1.0000000        
S   1
  1      0.0124700              1.0000000        
P   15
  1  14454.2000000              0.0000440        
  2   3421.6760000              0.0003890        
  3   1111.3870000              0.0022410        
  4    425.1918000              0.0098210        
  5    180.2623000              0.0344710        
  6     82.0611700              0.0974600        
  7     39.2972600              0.2119850        
  8     19.4195900              0.3339900        
  9      9.8288990              0.3301370        
 10      5.0168100              0.1522270        
 11      2.4870910              0.0204250        
 12      1.1987800             -0.0013600        
 13      0.5586950             -0.0011950        
 14      0.2089240             -0.0001970        
 15      0.0846080              0.0000230        
P   15
  1  14454.2000000             -0.0000150        
  2   3421.6760000             -0.0001350        
  3   1111.3870000             -0.0007770        
  4    425.1918000             -0.0034270        
  5    180.2623000             -0.0121890        
  6     82.0611700             -0.0353880        
  7     39.2972600             -0.0799150        
  8     19.4195900             -0.1323350        
  9      9.8288990             -0.1354010        
 10      5.0168100              0.0320080        
 11      2.4870910              0.3338490        
 12      1.1987800              0.4617730        
 13      0.5586950              0.2812900        
 14      0.2089240              0.0418430        
 15      0.0846080             -0.0040020        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000320        
  3   1111.3870000              0.0001850        
  4    425.1918000              0.0008100        
  5    180.2623000              0.0029060        
  6     82.0611700              0.0083910        
  7     39.2972600              0.0191930        
  8     19.4195900              0.0315640        
  9      9.8288990              0.0334170        
 10      5.0168100             -0.0129070        
 11      2.4870910             -0.0936590        
 12      1.1987800             -0.1499770        
 13      0.5586950             -0.0672340        
 14      0.2089240              0.2707590        
 15      0.0846080              0.5758070        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000400        
  3   1111.3870000              0.0002290        
  4    425.1918000              0.0010190        
  5    180.2623000              0.0036020        
  6     82.0611700              0.0105500        
  7     39.2972600              0.0237020        
  8     19.4195900              0.0399880        
  9      9.8288990              0.0404370        
 10      5.0168100             -0.0120740        
 11      2.4870910             -0.1189390        
 12      1.1987800             -0.1781000        
 13      0.5586950             -0.1238650        
 14      0.2089240              0.4297220        
 15      0.0846080              0.6507860        
P   15
  1  14454.2000000              0.0000100        
  2   3421.6760000              0.0000790        
  3   1111.3870000              0.0005120        
  4    425.1918000              0.0020230        
  5    180.2623000              0.0080550        
  6     82.0611700              0.0207720        
  7     39.2972600              0.0542240        
  8     19.4195900              0.0746850        
  9      9.8288990              0.1159890        
 10      5.0168100             -0.0765840        
 11      2.4870910             -0.2439310        
 12      1.1987800             -0.6801810        
 13      0.5586950              0.7336640        
 14      0.2089240              0.9991200        
 15      0.0846080             -1.0170810        
P   1
  1      0.0332580              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   7
  1     88.5768000              0.0036210        
  2     26.2045000              0.0257660        
  3      9.5174700              0.0975560        
  4      3.8224800              0.2363120        
  5      1.5751200              0.3582860        
  6      0.6289280              0.3685430        
  7      0.2344240              0.2354940        
D   7
  1     88.5768000             -0.0041220        
  2     26.2045000             -0.0293070        
  3      9.5174700             -0.1150620        
  4      3.8224800             -0.2730680        
  5      1.5751200             -0.3144230        
  6      0.6289280              0.0420970        
  7      0.2344240              0.5914030        
D   7
  1     88.5768000              0.0059540        
  2     26.2045000              0.0425320        
  3      9.5174700              0.1745110        
  4      3.8224800              0.3939000        
  5      1.5751200              0.1492790        
  6      0.6289280             -0.8102450        
  7      0.2344240              0.0109110        
D   1
  1      0.0768150              1.0000000        
D   1
  1      0.0251700              1.0000000        
F   1
  1      2.2510000              1.0000000        
F   1
  1      0.5315000              1.0000000        
F   1
  1      0.1763600              1.0000000        
G   1
  1      1.4459000              1.0000000        
G   1
  1      0.5132900              1.0000000        


name: aug-cc-pVTZ-NR
description: VTZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             8.549241E-06     
  2 871523.4000000              6.64741E-05      
  3 198335.0000000              0.0003494962     
  4  56176.3100000              0.001473832      
  5  18325.8200000              0.00533833       
  6   6614.9550000              0.01712708       
  7   2579.1990000              0.04894085       
  8   1068.8490000              0.1217934        
  9    465.1045000              0.2476589        
 10    210.4130000              0.3582431        
 11     97.6162900              0.2798174        
 12     44.3802000              0.06857491       
 13     21.4230800             -0.001311092      
 14     10.3089100              0.001914001      
 15      4.5536450             -0.000875922      
 16      2.1328210              0.0003740096     
 17      0.9296970             -0.0001401399     
 18      0.1921470              4.757132E-05     
 19      0.0875950             -3.642711E-05     
S   19
  1 5820021.0000000            -2.640069E-06     
  2 871523.4000000             -2.05272E-05      
  3 198335.0000000             -0.0001079859     
  4  56176.3100000             -0.0004558577     
  5  18325.8200000             -0.001657758      
  6   6614.9550000             -0.005368492      
  7   2579.1990000             -0.01571249       
  8   1068.8490000             -0.04122558       
  9    465.1045000             -0.09406459       
 10    210.4130000             -0.1719954        
 11     97.6162900             -0.1958523        
 12     44.3802000              0.04532907       
 13     21.4230800              0.5244442        
 14     10.3089100              0.5006142        
 15      4.5536450              0.08945527       
 16      2.1328210             -0.002146262      
 17      0.9296970              0.002112113      
 18      0.1921470             -0.000413398      
 19      0.0875950              0.0003209752     
S   19
  1 5820021.0000000             9.967103E-07     
  2 871523.4000000              7.754163E-06     
  3 198335.0000000              4.076019E-05     
  4  56176.3100000              0.0001722811     
  5  18325.8200000              0.000625937      
  6   6614.9550000              0.002032855      
  7   2579.1990000              0.005954646      
  8   1068.8490000              0.0157664        
  9    465.1045000              0.03637638       
 10    210.4130000              0.06892343       
 11     97.6162900              0.08238093       
 12     44.3802000             -0.0201136        
 13     21.4230800             -0.3252526        
 14     10.3089100             -0.4602899        
 15      4.5536450              0.1635546        
 16      2.1328210              0.7297118        
 17      0.9296970              0.3769751        
 18      0.1921470              0.01433224       
 19      0.0875950             -0.00667121       
S   19
  1 5820021.0000000             1.995818E-07     
  2 871523.4000000              1.552973E-06     
  3 198335.0000000              8.161259E-06     
  4  56176.3100000              3.450747E-05     
  5  18325.8200000              0.0001253275     
  6   6614.9550000              0.000407299      
  7   2579.1990000              0.001192734      
  8   1068.8490000              0.00316314       
  9    465.1045000              0.007303942      
 10    210.4130000              0.01391279       
 11     97.6162900              0.0167062        
 12     44.3802000             -0.004035586      
 13     21.4230800             -0.06968861       
 14     10.3089100             -0.1030105        
 15      4.5536450              0.04471442       
 16      2.1328210              0.2150027        
 17      0.9296970              0.2220163        
 18      0.1921470             -0.3114776        
 19      0.0875950             -0.5693429        
S   19
  1 5820021.0000000            -5.43591E-07      
  2 871523.4000000             -4.336894E-06     
  3 198335.0000000             -2.197572E-05     
  4  56176.3100000             -9.747392E-05     
  5  18325.8200000             -0.0003331615     
  6   6614.9550000             -0.001166192      
  7   2579.1990000             -0.003119308      
  8   1068.8490000             -0.009239504      
  9    465.1045000             -0.01855471       
 10    210.4130000             -0.04281189       
 11     97.6162900             -0.03571095       
 12     44.3802000             -0.0163835        
 13     21.4230800              0.2644664        
 14     10.3089100              0.2086588        
 15      4.5536450             -0.01774382       
 16      2.1328210             -1.3538730        
 17      0.9296970              0.8182926        
 18      0.1921470              1.6950360        
 19      0.0875950             -1.3886560        
S   19
  1 5820021.0000000             8.040791E-07     
  2 871523.4000000              6.282936E-06     
  3 198335.0000000              3.281868E-05     
  4  56176.3100000              0.0001398858     
  5  18325.8200000              0.0005029836     
  6   6614.9550000              0.001655419      
  7   2579.1990000              0.004778677      
  8   1068.8490000              0.01292479       
  9    465.1045000              0.02925831       
 10    210.4130000              0.05791816       
 11     97.6162900              0.06640681       
 12     44.3802000             -0.007388966      
 13     21.4230800             -0.3329989        
 14     10.3089100             -0.5917865        
 15      4.5536450              0.9011406        
 16      2.1328210              1.5859510        
 17      0.9296970             -2.7880080        
 18      0.1921470              2.0718840        
 19      0.0875950             -0.6012025        
S   1
  1      0.0377020              1.0000000        
S   1
  1      0.0162300              1.0000000        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0003610        
  3   1876.8620000              0.0020880        
  4    718.2361000              0.0092210        
  5    304.8327000              0.0327730        
  6    139.0453000              0.0941790        
  7     66.8041700              0.2091320        
  8     33.2069900              0.3345690        
  9     16.9281600              0.3303590        
 10      8.6962290              0.1523470        
 11      4.3505100              0.0229840        
 12      2.1165230              0.0016070        
 13      0.9953870              0.0004680        
 14      0.3781120              0.0000660        
 15      0.1345790             -0.0000020        
P   15
  1  24411.9800000             -0.0000150        
  2   5778.5180000             -0.0001350        
  3   1876.8620000             -0.0007820        
  4    718.2361000             -0.0034780        
  5    304.8327000             -0.0125200        
  6    139.0453000             -0.0370160        
  7     66.8041700             -0.0855590        
  8     33.2069900             -0.1447180        
  9     16.9281600             -0.1434420        
 10      8.6962290              0.0435950        
 11      4.3505100              0.3488880        
 12      2.1165230              0.4538650        
 13      0.9953870              0.2685940        
 14      0.3781120              0.0388680        
 15      0.1345790             -0.0024920        
P   15
  1  24411.9800000              0.0000030        
  2   5778.5180000              0.0000250        
  3   1876.8620000              0.0001440        
  4    718.2361000              0.0006450        
  5    304.8327000              0.0023110        
  6    139.0453000              0.0068980        
  7     66.8041700              0.0158820        
  8     33.2069900              0.0273500        
  9     16.9281600              0.0266210        
 10      8.6962290             -0.0108580        
 11      4.3505100             -0.0798530        
 12      2.1165230             -0.1061270        
 13      0.9953870             -0.0688830        
 14      0.3781120              0.1843850        
 15      0.1345790              0.5617880        
P   15
  1  24411.9800000              0.0000050        
  2   5778.5180000              0.0000420        
  3   1876.8620000              0.0002380        
  4    718.2361000              0.0010880        
  5    304.8327000              0.0038210        
  6    139.0453000              0.0116440        
  7     66.8041700              0.0261670        
  8     33.2069900              0.0467500        
  9     16.9281600              0.0433090        
 10      8.6962290             -0.0134290        
 11      4.3505100             -0.1538970        
 12      2.1165230             -0.1674130        
 13      0.9953870             -0.0849950        
 14      0.3781120              0.4508130        
 15      0.1345790              0.6408690        
P   15
  1  24411.9800000              0.0000120        
  2   5778.5180000              0.0000960        
  3   1876.8620000              0.0005940        
  4    718.2361000              0.0024840        
  5    304.8327000              0.0095370        
  6    139.0453000              0.0264790        
  7     66.8041700              0.0663660        
  8     33.2069900              0.1024580        
  9     16.9281600              0.1386830        
 10      8.6962290             -0.0801400        
 11      4.3505100             -0.4960690        
 12      2.1165230             -0.4635100        
 13      0.9953870              0.8745310        
 14      0.3781120              0.6297900        
 15      0.1345790             -0.8116860        
P   1
  1      0.0462820              1.0000000        
P   1
  1      0.0159200              1.0000000        
D   7
  1    205.6177000              0.0023420        
  2     61.4498100              0.0186060        
  3     23.0568900              0.0771020        
  4      9.5777390              0.2020260        
  5      4.1337340              0.3294540        
  6      1.7475180              0.3609760        
  7      0.6995600              0.2716570        
D   7
  1    205.6177000              0.0032790        
  2     61.4498100              0.0261760        
  3     23.0568900              0.1113670        
  4      9.5777390              0.3045810        
  5      4.1337340              0.3862990        
  6      1.7475180             -0.0583750        
  7      0.6995600             -0.5388760        
D   7
  1    205.6177000              0.0037400        
  2     61.4498100              0.0318250        
  3     23.0568900              0.1322290        
  4      9.5777390              0.4245500        
  5      4.1337340              0.1203700        
  6      1.7475180             -0.7626610        
  7      0.6995600             -0.1128230        
D   1
  1      0.2516080              1.0000000        
D   1
  1      0.0904900              1.0000000        
F   1
  1      5.7922000              1.0000000        
F   1
  1      1.4851000              1.0000000        
F   1
  1      0.5486100              1.0000000        
G   1
  1      4.1144000              1.0000000        
G   1
  1      1.8293300              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Y
data:
YTTRIUM
S   1
  1      0.0104000              1.0000000        
P   1
  1      0.0103000              1.0000000        
D   1
  1      0.0101000              1.0000000        
F   1
  1      0.0353000              1.0000000        
G   1
  1      0.0764000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Zr
data:
ZIRCONIUM
S   1
  1      0.0110000              1.0000000        
P   1
  1      0.0101000              1.0000000        
D   1
  1      0.0133000              1.0000000        
F   1
  1      0.0618000              1.0000000        
G   1
  1      0.1333000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Nb
data:
NIOBIUM
S   1
  1      0.0117000              1.0000000        
P   1
  1      0.0109000              1.0000000        
D   1
  1      0.0168000              1.0000000        
F   1
  1      0.0911000              1.0000000        
G   1
  1      0.2101000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Mo
data:
MOLYBDENUM
S   1
  1      0.0123000              1.0000000        
P   1
  1      0.0115000              1.0000000        
D   1
  1      0.0186000              1.0000000        
F   1
  1      0.1186000              1.0000000        
G   1
  1      0.2751000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Tc
data:
TECHNETIUM
S   1
  1      0.0128000              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   1
  1      0.0211000              1.0000000        
F   1
  1      0.1464000              1.0000000        
G   1
  1      0.3410000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Ru
data:
RUTHENIUM
S   1
  1      0.0134000              1.0000000        
P   1
  1      0.0120000              1.0000000        
D   1
  1      0.0237000              1.0000000        
F   1
  1      0.1768000              1.0000000        
G   1
  1      0.4195000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Rh
data:
RHODIUM
S   1
  1      0.0140000              1.0000000        
P   1
  1      0.0132000              1.0000000        
D   1
  1      0.0267000              1.0000000        
F   1
  1      0.2095000              1.0000000        
G   1
  1      0.5001000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Pd
data:
PALLADIUM
S   1
  1      0.0145000              1.0000000        
P   1
  1      0.0127000              1.0000000        
D   1
  1      0.0306000              1.0000000        
F   1
  1      0.2444000              1.0000000        
G   1
  1      0.5979000              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Hf
data:
HAFNIUM
S   1
  1      0.0033850              1.0000000        
P   1
  1      0.0032140              1.0000000        
D   1
  1      0.0026810              1.0000000        
F   1
  1      0.0271330              1.0000000        
G   1
  1      0.0400460              1.0000000        
H   1
  1      0.1235530              1.0000000        
I   1
  1      0.2700160              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Ta
data:
TANTALUM
S   1
  1      0.0045110              1.0000000        
P   1
  1      0.0034320              1.0000000        
D   1
  1      0.0028750              1.0000000        
F   1
  1      0.0293670              1.0000000        
G   1
  1      0.0537690              1.0000000        
H   1
  1      0.1695310              1.0000000        
I   1
  1      0.3720270              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: W
data:
TUNGSTEN
S   1
  1      0.0049230              1.0000000        
P   1
  1      0.0035620              1.0000000        
D   1
  1      0.0034140              1.0000000        
F   1
  1      0.0318720              1.0000000        
G   1
  1      0.0680750              1.0000000        
H   1
  1      0.2116930              1.0000000        
I   1
  1      0.4990550              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Re
data:
RHENIUM
S   1
  1      0.0034970              1.0000000        
P   1
  1      0.0088250              1.0000000        
D   1
  1      0.0046370              1.0000000        
F   1
  1      0.0886390              1.0000000        
G   1
  1      0.0987410              1.0000000        
H   1
  1      0.2709810              1.0000000        
I   1
  1      0.6306410              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Os
data:
OSMIUM
S   1
  1      0.0067000              1.0000000        
P   1
  1      0.0046240              1.0000000        
D   1
  1      0.0057760              1.0000000        
F   1
  1      0.0372120              1.0000000        
G   1
  1      0.0835680              1.0000000        
H   1
  1      0.2891340              1.0000000        
I   1
  1      0.7080580              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Ir
data:
IRIDIUM
S   1
  1      0.0057350              1.0000000        
P   1
  1      0.0061120              1.0000000        
D   1
  1      0.0115060              1.0000000        
F   1
  1      0.0345070              1.0000000        
G   1
  1      0.1134010              1.0000000        
H   1
  1      0.3463610              1.0000000        
I   1
  1      0.8344040              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Pt
data:
PLATINUM
S   1
  1      0.0103770              1.0000000        
P   1
  1      0.0109990              1.0000000        
D   1
  1      0.0175920              1.0000000        
F   1
  1      0.0351040              1.0000000        
G   1
  1      0.1062380              1.0000000        
H   1
  1      0.3806310              1.0000000        
I   1
  1      0.9277760              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   9
  1   1946.3500000              0.0001730        
  2    277.9450000              0.0009580        
  3     60.0108000             -0.0139320        
  4     37.5138000              0.0666720        
  5     10.9688000             -0.4144860        
  6      2.3353600              0.7319850        
  7      0.9775800              0.4735590        
  8      0.1858870              0.0288600        
  9      0.0948510             -0.0143780        
S   9
  1   1946.3500000             -0.0000430        
  2    277.9450000             -0.0001730        
  3     60.0108000              0.0021820        
  4     37.5138000             -0.0132150        
  5     10.9688000              0.0954600        
  6      2.3353600             -0.2048920        
  7      0.9775800             -0.2429550        
  8      0.1858870              0.2128160        
  9      0.0948510              0.5320730        
S   9
  1   1946.3500000             -0.0000850        
  2    277.9450000             -0.0004180        
  3     60.0108000              0.0051250        
  4     37.5138000             -0.0280790        
  5     10.9688000              0.2066260        
  6      2.3353600             -0.6763950        
  7      0.9775800              0.0068900        
  8      0.1858870              1.6771590        
  9      0.0948510             -0.4592680        
S   9
  1   1946.3500000             -0.0003310        
  2    277.9450000              0.0007840        
  3     60.0108000             -0.0199370        
  4     37.5138000             -0.0064730        
  5     10.9688000              0.4304630        
  6      2.3353600             -2.3103570        
  7      0.9775800              2.2981990        
  8      0.1858870              0.3918090        
  9      0.0948510             -2.2238270        
S   1
  1      0.0403630              1.0000000        
S   1
  1      0.0172000              1.0000000        
P   8
  1    395.0250000              0.0002060        
  2     64.7808000              0.0038720        
  3     17.8335000             -0.0831640        
  4      4.3595800              0.3467890        
  5      2.0181600              0.4867620        
  6      0.9023120              0.2722850        
  7      0.3122900              0.0339860        
  8      0.1156800             -0.0036900        
P   8
  1    395.0250000             -0.0000510        
  2     64.7808000             -0.0007000        
  3     17.8335000              0.0170850        
  4      4.3595800             -0.0814680        
  5      2.0181600             -0.1198010        
  6      0.9023120             -0.0599620        
  7      0.3122900              0.2354600        
  8      0.1156800              0.5603760        
P   8
  1    395.0250000             -0.0001220        
  2     64.7808000             -0.0012420        
  3     17.8335000              0.0352160        
  4      4.3595800             -0.1894850        
  5      2.0181600             -0.2432280        
  6      0.9023120              0.0252340        
  7      0.3122900              0.5801290        
  8      0.1156800              0.4825400        
P   8
  1    395.0250000             -0.0003940        
  2     64.7808000             -0.0013450        
  3     17.8335000              0.0791750        
  4      4.3595800             -0.5949390        
  5      2.0181600             -0.4104190        
  6      0.9023120              1.0418980        
  7      0.3122900              0.3430100        
  8      0.1156800             -0.8397400        
P   1
  1      0.0417450              1.0000000        
P   1
  1      0.0151000              1.0000000        
D   7
  1    134.0680000              0.0029660        
  2     42.2407000              0.0273300        
  3     16.5467000              0.1001680        
  4      7.0122700              0.2319250        
  5      3.0244600              0.3392610        
  6      1.2646100              0.3452250        
  7      0.4962380              0.2466370        
D   7
  1    134.0680000             -0.0036790        
  2     42.2407000             -0.0338610        
  3     16.5467000             -0.1283960        
  4      7.0122700             -0.3011240        
  5      3.0244600             -0.3197480        
  6      1.2646100              0.0845510        
  7      0.4962380              0.5018780        
D   7
  1    134.0680000              0.0045260        
  2     42.2407000              0.0423250        
  3     16.5467000              0.1662100        
  4      7.0122700              0.4031220        
  5      3.0244600              0.0713050        
  6      1.2646100             -0.7108880        
  7      0.4962380             -0.1463320        
D   1
  1      0.1731340              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      5.1411000              1.0000000        
F   1
  1      1.2848000              1.0000000        
F   1
  1      0.4587000              1.0000000        
G   1
  1      3.4525000              1.0000000        
G   1
  1      1.3831000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Zn
data:
ZINC
S   9
  1   2203.4100000              0.0001500        
  2    315.5820000              0.0008300        
  3     66.4556000             -0.0132000        
  4     41.6666000              0.0630870        
  5     11.8328000             -0.4147250        
  6      2.5399600              0.7387780        
  7      1.0595000              0.4718890        
  8      0.1997510              0.0233840        
  9      0.1016300             -0.0127000        
S   9
  1   2203.4100000             -0.0000380        
  2    315.5820000             -0.0001490        
  3     66.4556000              0.0021030        
  4     41.6666000             -0.0126920        
  5     11.8328000              0.0971100        
  6      2.5399600             -0.2118140        
  7      1.0595000             -0.2473130        
  8      0.1997510              0.2579730        
  9      0.1016300              0.5405670        
S   9
  1   2203.4100000              0.0001330        
  2    315.5820000              0.0003060        
  3     66.4556000             -0.0026540        
  4     41.6666000              0.0319690        
  5     11.8328000             -0.3133110        
  6      2.5399600              1.2334750        
  7      1.0595000             -0.5532890        
  8      0.1997510             -2.0634140        
  9      0.1016300              1.6067170        
S   9
  1   2203.4100000              0.0004580        
  2    315.5820000             -0.0026650        
  3     66.4556000              0.0533970        
  4     41.6666000             -0.0535800        
  5     11.8328000             -0.3866060        
  6      2.5399600              2.5219240        
  7      1.0595000             -2.9926140        
  8      0.1997510              1.9513600        
  9      0.1016300             -0.4226390        
S   1
  1      0.0425660              1.0000000        
S   1
  1      0.0178000              1.0000000        
P   8
  1    558.2510000              0.0001280        
  2     87.5501000              0.0025050        
  3     19.6744000             -0.0799920        
  4      4.6596900              0.3618820        
  5      2.1399800              0.4894150        
  6      0.9534370              0.2569110        
  7      0.3246550              0.0276700        
  8      0.1193480             -0.0030170        
P   8
  1    558.2510000             -0.0000310        
  2     87.5501000             -0.0004320        
  3     19.6744000              0.0158940        
  4      4.6596900             -0.0818560        
  5      2.1399800             -0.1162980        
  6      0.9534370             -0.0530950        
  7      0.3246550              0.2405910        
  8      0.1193480              0.5573730        
P   8
  1    558.2510000              0.0000640        
  2     87.5501000              0.0006900        
  3     19.6744000             -0.0288850        
  4      4.6596900              0.1630810        
  5      2.1399800              0.2030330        
  6      0.9534370              0.0196180        
  7      0.3246550             -0.5551300        
  8      0.1193480             -0.5290840        
P   8
  1    558.2510000              0.0002760        
  2     87.5501000              0.0005640        
  3     19.6744000             -0.0761040        
  4      4.6596900              0.6145760        
  5      2.1399800              0.3747180        
  6      0.9534370             -1.0110220        
  7      0.3246550             -0.3827690        
  8      0.1193480              0.8210210        
P   1
  1      0.0428360              1.0000000        
P   1
  1      0.0154000              1.0000000        
D   7
  1    162.5730000              0.0025070        
  2     50.8500000              0.0241370        
  3     20.1679000              0.0905710        
  4      8.6009500              0.2170330        
  5      3.7610800              0.3321450        
  6      1.6056100              0.3504780        
  7      0.6490060              0.2562230        
D   7
  1    162.5730000              0.0035010        
  2     50.8500000              0.0337260        
  3     20.1679000              0.1308020        
  4      8.6009500              0.3234790        
  5      3.7610800              0.3584120        
  6      1.6056100             -0.1122800        
  7      0.6490060             -0.5354300        
D   7
  1    162.5730000              0.0040620        
  2     50.8500000              0.0407070        
  3     20.1679000              0.1610480        
  4      8.6009500              0.4362390        
  5      3.7610800              0.0180170        
  6      1.6056100             -0.7643560        
  7      0.6490060             -0.0206420        
D   1
  1      0.2359550              1.0000000        
D   1
  1      0.0858000              1.0000000        
F   1
  1      5.8823000              1.0000000        
F   1
  1      1.4950000              1.0000000        
F   1
  1      0.5450000              1.0000000        
G   1
  1      4.0872000              1.0000000        
G   1
  1      1.7130000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   7
  1  11929.2000000              0.0000640        
  2   1783.7000000              0.0004730        
  3    378.4670000              0.0020550        
  4     29.6623000              0.1202900        
  5     14.2332000             -0.4633920        
  6      2.6873900              0.7443840        
  7      1.1509600              0.4505960        
S   7
  1  11929.2000000             -0.0000180        
  2   1783.7000000             -0.0001230        
  3    378.4670000             -0.0006100        
  4     29.6623000             -0.0312640        
  5     14.2332000              0.1268690        
  6      2.6873900             -0.2578570        
  7      1.1509600             -0.2867260        
S   1
  1      0.2561640              1.0000000        
S   1
  1      0.1228740              1.0000000        
S   1
  1      0.0534680              1.0000000        
S   1
  1      0.0187000              1.0000000        
P   9
  1    648.3110000              0.0001170        
  2    103.3240000              0.0021020        
  3     21.0066000             -0.0810440        
  4      5.0341200              0.3714330        
  5      2.2945800              0.5014250        
  6      1.0107800              0.2408060        
  7      0.3265690              0.0184400        
  8      0.1173290             -0.0020560        
  9      0.0412730              0.0007110        
P   9
  1    648.3110000             -0.0000250        
  2    103.3240000             -0.0003130        
  3     21.0066000              0.0140670        
  4      5.0341200             -0.0726620        
  5      2.2945800             -0.1030720        
  6      1.0107800             -0.0491760        
  7      0.3265690              0.2253290        
  8      0.1173290              0.5517370        
  9      0.0412730              0.3791640        
P   1
  1      0.3095000              1.0000000        
P   1
  1      0.0458000              1.0000000        
P   1
  1      0.0126000              1.0000000        
D   7
  1    197.8180000              0.0022080        
  2     61.9417000              0.0220230        
  3     24.7533000              0.0829150        
  4     10.6163000              0.2053990        
  5      4.6883100              0.3278350        
  6      2.0390400              0.3585750        
  7      0.8491240              0.2605990        
D   1
  1      0.3205580              1.0000000        
D   1
  1      0.1102000              1.0000000        
D   1
  1      0.0351000              1.0000000        
F   1
  1      0.3015000              1.0000000        
F   1
  1      0.1019000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   7
  1  10120.4000000              0.0001290        
  2   1521.4600000              0.0009230        
  3    334.4110000              0.0035000        
  4     33.6778000              0.1035450        
  5     15.1690000             -0.4384470        
  6      2.9378300              0.7279750        
  7      1.2923400              0.4607490        
S   7
  1  10120.4000000             -0.0000420        
  2   1521.4600000             -0.0002770        
  3    334.4110000             -0.0011730        
  4     33.6778000             -0.0299720        
  5     15.1690000              0.1344660        
  6      2.9378300             -0.2874370        
  7      1.2923400             -0.3234750        
S   1
  1      0.3304530              1.0000000        
S   1
  1      0.1587800              1.0000000        
S   1
  1      0.0687730              1.0000000        
S   1
  1      0.0266000              1.0000000        
P   9
  1    587.5220000              0.0001760        
  2     99.9014000              0.0027050        
  3     22.5574000             -0.0820230        
  4      5.5442100              0.3629990        
  5      2.5689000              0.5016570        
  6      1.1574500              0.2450560        
  7      0.3967520              0.0197680        
  8      0.1516670             -0.0020210        
  9      0.0560460              0.0007030        
P   9
  1    587.5220000             -0.0000460        
  2     99.9014000             -0.0004890        
  3     22.5574000              0.0172840        
  4      5.5442100             -0.0870500        
  5      2.5689000             -0.1275750        
  6      1.1574500             -0.0595750        
  7      0.3967520              0.2730540        
  8      0.1516670              0.5634800        
  9      0.0560460              0.3184350        
P   1
  1      0.4151000              1.0000000        
P   1
  1      0.0650000              1.0000000        
P   1
  1      0.0213000              1.0000000        
D   7
  1    229.9860000              0.0019500        
  2     71.1546000              0.0199420        
  3     28.7796000              0.0781500        
  4     12.4128000              0.2001840        
  5      5.5423000              0.3263010        
  6      2.4462000              0.3632720        
  7      1.0420100              0.2598850        
D   1
  1      0.4029060              1.0000000        
D   1
  1      0.1441000              1.0000000        
D   1
  1      0.0512000              1.0000000        
F   1
  1      0.3544000              1.0000000        
F   1
  1      0.1321000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   7
  1   9230.1200000              0.0002450        
  2   1390.3400000              0.0017170        
  3    310.1850000              0.0059890        
  4     38.6242000              0.0904660        
  5     16.2883000             -0.4111950        
  6      3.2090100              0.7044100        
  7      1.4479200              0.4735570        
S   7
  1   9230.1200000             -0.0000870        
  2   1390.3400000             -0.0005800        
  3    310.1850000             -0.0022160        
  4     38.6242000             -0.0285830        
  5     16.2883000              0.1379070        
  6      3.2090100             -0.3095720        
  7      1.4479200             -0.3564480        
S   1
  1      0.4192170              1.0000000        
S   1
  1      0.2010240              1.0000000        
S   1
  1      0.0862360              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   9
  1    512.5520000              0.0002700        
  2     89.8115000              0.0039760        
  3     23.9471000             -0.0872310        
  4      6.1354500              0.3512290        
  5      2.8909800              0.5037530        
  6      1.3276700              0.2524220        
  7      0.4810440              0.0216960        
  8      0.1902080             -0.0020470        
  9      0.0720080              0.0005820        
P   9
  1    512.5520000             -0.0000780        
  2     89.8115000             -0.0008240        
  3     23.9471000              0.0208320        
  4      6.1354500             -0.0962290        
  5      2.8909800             -0.1468760        
  6      1.3276700             -0.0709030        
  7      0.4810440              0.2985700        
  8      0.1902080              0.5689430        
  9      0.0720080              0.2899240        
P   1
  1      0.5297000              1.0000000        
P   1
  1      0.0855000              1.0000000        
P   1
  1      0.0282000              1.0000000        
D   7
  1    265.4440000              0.0017810        
  2     81.3734000              0.0185130        
  3     33.3956000              0.0760980        
  4     14.4107000              0.1937100        
  5      6.4703200              0.3245120        
  6      2.8858200              0.3681000        
  7      1.2491900              0.2603440        
D   1
  1      0.4904260              1.0000000        
D   1
  1      0.1798000              1.0000000        
D   1
  1      0.0649000              1.0000000        
F   1
  1      0.4237000              1.0000000        
F   1
  1      0.1542000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   7
  1   8991.8000000              0.0004210        
  2   1355.2000000              0.0029330        
  3    303.4980000              0.0098700        
  4     44.3870000              0.0808600        
  5     17.1581000             -0.3914900        
  6      3.5026200              0.6863270        
  7      1.6158300              0.4855820        
S   7
  1   8991.8000000             -0.0001650        
  2   1355.2000000             -0.0011040        
  3    303.4980000             -0.0040150        
  4     44.3870000             -0.0276280        
  5     17.1581000              0.1415820        
  6      3.5026200             -0.3316090        
  7      1.6158300             -0.3848760        
S   1
  1      0.5046210              1.0000000        
S   1
  1      0.2407280              1.0000000        
S   1
  1      0.1025980              1.0000000        
S   1
  1      0.0384000              1.0000000        
P   9
  1    491.8970000              0.0003680        
  2     89.2328000              0.0048720        
  3     25.5069000             -0.0885470        
  4      6.6999200              0.3466370        
  5      3.1877200              0.5068780        
  6      1.4838500              0.2515060        
  7      0.5621350              0.0219950        
  8      0.2210550             -0.0012350        
  9      0.0822520              0.0006100        
P   9
  1    491.8970000             -0.0001150        
  2     89.2328000             -0.0011020        
  3     25.5069000              0.0230250        
  4      6.6999200             -0.1044220        
  5      3.1877200             -0.1640980        
  6      1.4838500             -0.0724090        
  7      0.5621350              0.3278190        
  8      0.2210550              0.5611980        
  9      0.0822520              0.2784910        
P   1
  1      0.6364000              1.0000000        
P   1
  1      0.0978000              1.0000000        
P   1
  1      0.0327000              1.0000000        
D   7
  1    301.8680000              0.0016370        
  2     92.1254000              0.0169670        
  3     37.9081000              0.0741760        
  4     16.4171000              0.1894830        
  5      7.4149600              0.3234940        
  6      3.3373800              0.3715420        
  7      1.4643800              0.2597780        
D   1
  1      0.5825160              1.0000000        
D   1
  1      0.2162000              1.0000000        
D   1
  1      0.0819000              1.0000000        
F   1
  1      0.4696000              1.0000000        
F   1
  1      0.1842000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   7
  1   9659.3900000              0.0003710        
  2   1455.9600000              0.0025710        
  3    325.9140000              0.0084850        
  4     46.5657000              0.0782220        
  5     18.2469000             -0.3971490        
  6      3.8020100              0.6858640        
  7      1.7863200              0.4868190        
S   7
  1   9659.3900000             -0.0001520        
  2   1455.9600000             -0.0010080        
  3    325.9140000             -0.0036090        
  4     46.5657000             -0.0278720        
  5     18.2469000              0.1513170        
  6      3.8020100             -0.3514970        
  7      1.7863200             -0.4107030        
S   1
  1      0.6027140              1.0000000        
S   1
  1      0.2840140              1.0000000        
S   1
  1      0.1202710              1.0000000        
S   1
  1      0.0445000              1.0000000        
P   9
  1    492.1870000              0.0004720        
  2     92.3642000              0.0054940        
  3     27.0718000             -0.0880300        
  4      7.2653900              0.3434850        
  5      3.4848100              0.5102080        
  6      1.6404800              0.2486310        
  7      0.6485700              0.0222010        
  8      0.2564070             -0.0004190        
  9      0.0953040              0.0006560        
P   9
  1    492.1870000             -0.0001580        
  2     92.3642000             -0.0013440        
  3     27.0718000              0.0246160        
  4      7.2653900             -0.1125320        
  5      3.4848100             -0.1797750        
  6      1.6404800             -0.0736610        
  7      0.6485700              0.3487340        
  8      0.2564070              0.5579480        
  9      0.0953040              0.2664560        
P   1
  1      0.7666000              1.0000000        
P   1
  1      0.1182000              1.0000000        
P   1
  1      0.0396000              1.0000000        
D   7
  1    338.9960000              0.0015240        
  2    103.2170000              0.0156730        
  3     42.3638000              0.0724000        
  4     18.4356000              0.1863030        
  5      8.3725400              0.3238810        
  6      3.8022200              0.3745340        
  7      1.6867700              0.2574180        
D   1
  1      0.6775200              1.0000000        
D   1
  1      0.2553000              1.0000000        
D   1
  1      0.1009000              1.0000000        
F   1
  1      0.5606000              1.0000000        
F   1
  1      0.2454000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   7
  1   9707.4400000              0.0005970        
  2   1463.5000000              0.0041290        
  3    327.6790000              0.0134570        
  4     52.4256000              0.0750740        
  5     18.8522000             -0.3918980        
  6      4.1692800              0.6673520        
  7      1.9926600              0.5062680        
S   7
  1   9707.4400000             -0.0002650        
  2   1463.5000000             -0.0017680        
  3    327.6790000             -0.0062010        
  4     52.4256000             -0.0283990        
  5     18.8522000              0.1568790        
  6      4.1692800             -0.3648090        
  7      1.9926600             -0.4330440        
S   1
  1      0.6836950              1.0000000        
S   1
  1      0.3243380              1.0000000        
S   1
  1      0.1382090              1.0000000        
S   1
  1      0.0506000              1.0000000        
P   9
  1    489.4570000              0.0006030        
  2     93.6395000              0.0064790        
  3     28.5921000             -0.0892740        
  4      7.8986100              0.3394840        
  5      3.8156600              0.5150780        
  6      1.8108300              0.2468760        
  7      0.7417580              0.0218330        
  8      0.2957270             -0.0006140        
  9      0.1104530              0.0002810        
P   9
  1    489.4570000             -0.0002110        
  2     93.6395000             -0.0016870        
  3     28.5921000              0.0263440        
  4      7.8986100             -0.1186870        
  5      3.8156600             -0.1935790        
  6      1.8108300             -0.0744460        
  7      0.7417580              0.3647020        
  8      0.2957270              0.5564060        
  9      0.1104530              0.2557360        
P   1
  1      0.9094000              1.0000000        
P   1
  1      0.1416000              1.0000000        
P   1
  1      0.0465000              1.0000000        
D   7
  1    377.8210000              0.0014340        
  2    114.8970000              0.0146290        
  3     46.9440000              0.0710960        
  4     20.5536000              0.1835580        
  5      9.3713700              0.3229310        
  6      4.2829000              0.3770300        
  7      1.9178400              0.2568870        
D   1
  1      0.7763900              1.0000000        
D   1
  1      0.2956000              1.0000000        
D   1
  1      0.1199000              1.0000000        
F   1
  1      0.6746000              1.0000000        
F   1
  1      0.3066000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Y
data:
YTTRIUM
S   9
  1    121.5550000              0.0003990        
  2     13.3508000             -0.0373740        
  3      8.3430400              0.2104080        
  4      5.2126200             -0.1742590        
  5      2.8482200             -0.4490590        
  6      0.7360920              0.7515460        
  7      0.3395250              0.5039130        
  8      0.0850000              0.0381900        
  9      0.0457190             -0.0168190        
S   9
  1    121.5550000             -0.0001380        
  2     13.3508000              0.0126550        
  3      8.3430400             -0.0725770        
  4      5.2126200              0.0689460        
  5      2.8482200              0.1410760        
  6      0.7360920             -0.3097690        
  7      0.3395250             -0.3640910        
  8      0.0850000              0.3089760        
  9      0.0457190              0.6183900        
S   9
  1    121.5550000             -0.0000250        
  2     13.3508000              0.0025120        
  3      8.3430400             -0.0493070        
  4      5.2126200             -0.0036710        
  5      2.8482200              0.3721140        
  6      0.7360920             -1.0040470        
  7      0.3395250             -0.0462620        
  8      0.0850000              2.7996160        
  9      0.0457190             -1.8967450        
S   9
  1    121.5550000              0.0003360        
  2     13.3508000             -0.0302260        
  3      8.3430400              0.0575900        
  4      5.2126200             -0.2202050        
  5      2.8482200              0.8124860        
  6      0.7360920             -2.9159010        
  7      0.3395250              2.9601310        
  8      0.0850000              0.3098150        
  9      0.0457190             -3.0151070        
S   1
  1      0.0217750              1.0000000        
S   1
  1      0.0104000              1.0000000        
P   8
  1     15.7057000             -0.0010080        
  2      9.8143400              0.0184510        
  3      3.9515200             -0.1533130        
  4      1.0287300              0.3882870        
  5      0.5203410              0.4715490        
  6      0.2628060              0.2442250        
  7      0.1191270              0.0374550        
  8      0.0532630              0.0009170        
P   8
  1     15.7057000             -0.0001460        
  2      9.8143400             -0.0045380        
  3      3.9515200              0.0466130        
  4      1.0287300             -0.1376680        
  5      0.5203410             -0.1888270        
  6      0.2628060             -0.1161280        
  7      0.1191270              0.3231850        
  8      0.0532630              0.6065240        
P   8
  1     15.7057000             -0.0006490        
  2      9.8143400              0.0126010        
  3      3.9515200             -0.1098480        
  4      1.0287300              0.3192010        
  5      0.5203410              0.8044380        
  6      0.2628060             -0.8756500        
  7      0.1191270             -1.0192500        
  8      0.0532630              0.9413270        
P   8
  1     15.7057000              0.0008090        
  2      9.8143400             -0.0150420        
  3      3.9515200              0.1388090        
  4      1.0287300             -0.6034190        
  5      0.5203410             -0.8228890        
  6      0.2628060              2.6576020        
  7      0.1191270             -1.8092190        
  8      0.0532630             -0.4174460        
P   1
  1      0.0233840              1.0000000        
P   1
  1      0.0103000              1.0000000        
D   7
  1     15.8535000              0.0009920        
  2      5.0818300             -0.0052340        
  3      1.4509500              0.0867890        
  4      0.6892770              0.2297090        
  5      0.3133420              0.3256070        
  6      0.1383830              0.3432860        
  7      0.0595550              0.2503880        
D   7
  1     15.8535000             -0.0010910        
  2      5.0818300              0.0056570        
  3      1.4509500             -0.1099010        
  4      0.6892770             -0.2902090        
  5      0.3133420             -0.3566240        
  6      0.1383830              0.0229490        
  7      0.0595550              0.5623060        
D   7
  1     15.8535000              0.0013370        
  2      5.0818300             -0.0069910        
  3      1.4509500              0.1521840        
  4      0.6892770              0.4617290        
  5      0.3133420              0.1555670        
  6      0.1383830             -0.9016730        
  7      0.0595550             -0.0617510        
D   1
  1      0.0245030              1.0000000        
D   1
  1      0.0101000              1.0000000        
F   1
  1      0.4893000              1.0000000        
F   1
  1      0.1248000              1.0000000        
F   1
  1      0.0353000              1.0000000        
G   1
  1      0.2769000              1.0000000        
G   1
  1      0.0764000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Zr
data:
ZIRCONIUM
S   9
  1    136.8260000              0.0004090        
  2     14.5128000             -0.0385170        
  3      9.0698100              0.2158150        
  4      5.6664000             -0.1733400        
  5      3.1131900             -0.4700670        
  6      0.8234820              0.7634610        
  7      0.3811930              0.5037400        
  8      0.0977920              0.0378590        
  9      0.0508390             -0.0153900        
S   9
  1    136.8260000             -0.0001420        
  2     14.5128000              0.0131450        
  3      9.0698100             -0.0753410        
  4      5.6664000              0.0699780        
  5      3.1131900              0.1504360        
  6      0.8234820             -0.3253820        
  7      0.3811930             -0.3567120        
  8      0.0977920              0.3070140        
  9      0.0508390              0.6239180        
S   9
  1    136.8260000             -0.0000310        
  2     14.5128000              0.0019190        
  3      9.0698100             -0.0509770        
  4      5.6664000             -0.0153840        
  5      3.1131900              0.4351660        
  6      0.8234820             -1.1911120        
  7      0.3811930              0.1292570        
  8      0.0977920              2.6494430        
  9      0.0508390             -1.8700320        
S   9
  1    136.8260000              0.0000940        
  2     14.5128000             -0.0109880        
  3      9.0698100             -0.0305380        
  4      5.6664000             -0.0961350        
  5      3.1131900              0.8023080        
  6      0.8234820             -3.2348630        
  7      0.3811930              3.4978270        
  8      0.0977920             -0.7468840        
  9      0.0508390             -1.7815950        
S   1
  1      0.0236930              1.0000000        
S   1
  1      0.0110000              1.0000000        
P   8
  1     17.4119000             -0.0011830        
  2     10.8799000              0.0191740        
  3      4.3280400             -0.1600700        
  4      1.1386400              0.4057620        
  5      0.5758550              0.4736200        
  6      0.2886700              0.2319610        
  7      0.1280140              0.0326620        
  8      0.0552900              0.0006340        
P   8
  1     17.4119000             -0.0001340        
  2     10.8799000             -0.0046090        
  3      4.3280400              0.0481890        
  4      1.1386400             -0.1454840        
  5      0.5758550             -0.1898740        
  6      0.2886700             -0.0778140        
  7      0.1280140              0.3319510        
  8      0.0552900              0.5837920        
P   8
  1     17.4119000             -0.0001070        
  2     10.8799000             -0.0067180        
  3      4.3280400              0.0683650        
  4      1.1386400             -0.2045500        
  5      0.5758550             -0.2797650        
  6      0.2886700             -0.0980140        
  7      0.1280140              0.6499590        
  8      0.0552900              0.4986110        
P   8
  1     17.4119000              0.0003190        
  2     10.8799000             -0.0136660        
  3      4.3280400              0.1316590        
  4      1.1386400             -0.4538160        
  5      0.5758550             -0.8019150        
  6      0.2886700              1.2831030        
  7      0.1280140              0.5992920        
  8      0.0552900             -1.0604800        
P   1
  1      0.0236130              1.0000000        
P   1
  1      0.0101000              1.0000000        
D   7
  1     18.0732000              0.0011410        
  2      5.2195900             -0.0082810        
  3      1.6998500              0.0933770        
  4      0.8363230              0.2509730        
  5      0.3933540              0.3439070        
  6      0.1788240              0.3298380        
  7      0.0782750              0.2121770        
D   7
  1     18.0732000             -0.0012140        
  2      5.2195900              0.0087890        
  3      1.6998500             -0.1164370        
  4      0.8363230             -0.3126190        
  5      0.3933540             -0.3388120        
  6      0.1788240              0.1097870        
  7      0.0782750              0.5744830        
D   7
  1     18.0732000              0.0016120        
  2      5.2195900             -0.0118120        
  3      1.6998500              0.1997150        
  4      0.8363230              0.5039140        
  5      0.3933540              0.0093700        
  6      0.1788240             -0.9116610        
  7      0.0782750              0.0859150        
D   1
  1      0.0322480              1.0000000        
D   1
  1      0.0133000              1.0000000        
F   1
  1      0.7395000              1.0000000        
F   1
  1      0.1931000              1.0000000        
F   1
  1      0.0618000              1.0000000        
G   1
  1      0.4195000              1.0000000        
G   1
  1      0.1333000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Nb
data:
NIOBIUM
S   9
  1    153.0710000              0.0004270        
  2     15.6363000             -0.0398340        
  3      9.7721800              0.2232090        
  4      6.1054400             -0.1760000        
  5      3.3909000             -0.4860610        
  6      0.9116760              0.7744000        
  7      0.4221390              0.5027280        
  8      0.1090790              0.0374030        
  9      0.0556240             -0.0146450        
S   9
  1    153.0710000             -0.0001480        
  2     15.6363000              0.0135970        
  3      9.7721800             -0.0781900        
  4      6.1054400              0.0718380        
  5      3.3909000              0.1563340        
  6      0.9116760             -0.3360430        
  7      0.4221390             -0.3472660        
  8      0.1090790              0.3058060        
  9      0.0556240              0.6211110        
S   9
  1    153.0710000             -0.0000530        
  2     15.6363000              0.0020220        
  3      9.7721800             -0.0540960        
  4      6.1054400             -0.0218900        
  5      3.3909000              0.4738280        
  6      0.9116760             -1.2925960        
  7      0.4221390              0.2337550        
  8      0.1090790              2.5185120        
  9      0.0556240             -1.7822210        
S   9
  1    153.0710000             -0.0001160        
  2     15.6363000              0.0059360        
  3      9.7721800             -0.1098620        
  4      6.1054400              0.0225290        
  5      3.3909000              0.7625580        
  6      0.9116760             -3.3668890        
  7      0.4221390              3.7305380        
  8      0.1090790             -1.2109090        
  9      0.0556240             -1.2127230        
S   1
  1      0.0255240              1.0000000        
S   1
  1      0.0117000              1.0000000        
P   8
  1     18.8713000             -0.0013830        
  2     11.7929000              0.0207100        
  3      4.7152900             -0.1677060        
  4      1.2553000              0.4181250        
  5      0.6350230              0.4741640        
  6      0.3175950              0.2237340        
  7      0.1410540              0.0306890        
  8      0.0604940              0.0006280        
P   8
  1     18.8713000             -0.0001020        
  2     11.7929000             -0.0050790        
  3      4.7152900              0.0513210        
  4      1.2553000             -0.1541440        
  5      0.6350230             -0.1927810        
  6      0.3175950             -0.0631470        
  7      0.1410540              0.3412080        
  8      0.0604940              0.5757850        
P   8
  1     18.8713000             -0.0000540        
  2     11.7929000             -0.0077120        
  3      4.7152900              0.0758660        
  4      1.2553000             -0.2266570        
  5      0.6350230             -0.3034970        
  6      0.3175950             -0.0467380        
  7      0.1410540              0.6780350        
  8      0.0604940              0.4528850        
P   8
  1     18.8713000              0.0002690        
  2     11.7929000             -0.0147500        
  3      4.7152900              0.1419370        
  4      1.2553000             -0.5173210        
  5      0.6350230             -0.7179400        
  6      0.3175950              1.3148940        
  7      0.1410540              0.4894290        
  8      0.0604940             -1.0389510        
P   1
  1      0.0256300              1.0000000        
P   1
  1      0.0109000              1.0000000        
D   7
  1     20.8985000              0.0012390        
  2      5.6013400             -0.0091370        
  3      1.9380500              0.0974180        
  4      0.9775120              0.2640250        
  5      0.4697960              0.3520390        
  6      0.2179050              0.3189190        
  7      0.0969170              0.1905900        
D   7
  1     20.8985000             -0.0013190        
  2      5.6013400              0.0096450        
  3      1.9380500             -0.1237060        
  4      0.9775120             -0.3240320        
  5      0.4697960             -0.3217030        
  6      0.2179050              0.1565040        
  7      0.0969170              0.5624300        
D   7
  1     20.8985000              0.0018290        
  2      5.6013400             -0.0134510        
  3      1.9380500              0.2322370        
  4      0.9775120              0.5415760        
  5      0.4697960             -0.1098090        
  6      0.2179050             -0.8826960        
  7      0.0969170              0.1429900        
D   1
  1      0.0403560              1.0000000        
D   1
  1      0.0168000              1.0000000        
F   1
  1      0.9895000              1.0000000        
F   1
  1      0.2652000              1.0000000        
F   1
  1      0.0911000              1.0000000        
G   1
  1      0.5906000              1.0000000        
G   1
  1      0.2101000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Mo
data:
MOLYBDENUM
S   9
  1    170.0690000              0.0004530        
  2     16.7338000             -0.0413800        
  3     10.4587000              0.2326990        
  4      6.5343400             -0.1825190        
  5      3.6793500             -0.4983180        
  6      1.0019200              0.7853790        
  7      0.4631400              0.5013700        
  8      0.1187270              0.0358290        
  9      0.0595140             -0.0140370        
S   9
  1    170.0690000             -0.0001560        
  2     16.7338000              0.0139920        
  3     10.4587000             -0.0809630        
  4      6.5343400              0.0744540        
  5      3.6793500              0.1588830        
  6      1.0019200             -0.3414150        
  7      0.4631400             -0.3366740        
  8      0.1187270              0.3095560        
  9      0.0595140              0.6149970        
S   9
  1    170.0690000             -0.0000750        
  2     16.7338000              0.0015070        
  3     10.4587000             -0.0536740        
  4      6.5343400             -0.0331090        
  5      3.6793500              0.5047010        
  6      1.0019200             -1.3515930        
  7      0.4631400              0.3070100        
  8      0.1187270              2.3973260        
  9      0.0595140             -1.6896850        
S   9
  1    170.0690000             -0.0002980        
  2     16.7338000              0.0209690        
  3     10.4587000             -0.1814220        
  4      6.5343400              0.1285330        
  5      3.6793500              0.7288700        
  6      1.0019200             -3.4647110        
  7      0.4631400              3.8855920        
  8      0.1187270             -1.5475660        
  9      0.0595140             -0.7618020        
S   1
  1      0.0270390              1.0000000        
S   1
  1      0.0123000              1.0000000        
P   8
  1     20.3080000             -0.0015140        
  2     12.6907000              0.0221680        
  3      5.1195000             -0.1743690        
  4      1.3778300              0.4279430        
  5      0.6968240              0.4753060        
  6      0.3473670              0.2174030        
  7      0.1528190              0.0285240        
  8      0.0650490              0.0004610        
P   8
  1     20.3080000             -0.0000830        
  2     12.6907000             -0.0054470        
  3      5.1195000              0.0532030        
  4      1.3778300             -0.1581500        
  5      0.6968240             -0.1918290        
  6      0.3473670             -0.0524490        
  7      0.1528190              0.3447620        
  8      0.0650490              0.5699340        
P   8
  1     20.3080000             -0.0000340        
  2     12.6907000             -0.0086930        
  3      5.1195000              0.0831140        
  4      1.3778300             -0.2494680        
  5      0.6968240             -0.3235300        
  6      0.3473670              0.0156020        
  7      0.1528190              0.6864390        
  8      0.0650490              0.4139530        
P   8
  1     20.3080000              0.0001020        
  2     12.6907000             -0.0158590        
  3      5.1195000              0.1536300        
  4      1.3778300             -0.5873860        
  5      0.6968240             -0.6442110        
  6      0.3473670              1.3803170        
  7      0.1528190              0.3384870        
  8      0.0650490             -0.9969510        
P   1
  1      0.0273390              1.0000000        
P   1
  1      0.0115000              1.0000000        
D   7
  1     22.6032000              0.0013060        
  2      6.3391400             -0.0124380        
  3      2.1776300              0.1035120        
  4      1.1070000              0.2776610        
  5      0.5353720              0.3588570        
  6      0.2489800              0.3092260        
  7      0.1104090              0.1740360        
D   7
  1     22.6032000             -0.0013410        
  2      6.3391400              0.0130470        
  3      2.1776300             -0.1256280        
  4      1.1070000             -0.3434410        
  5      0.5353720             -0.2978970        
  6      0.2489800              0.2001940        
  7      0.1104090              0.5671490        
D   7
  1     22.6032000              0.0020230        
  2      6.3391400             -0.0206910        
  3      2.1776300              0.2714220        
  4      1.1070000              0.5579390        
  5      0.5353720             -0.2102870        
  6      0.2489800             -0.8724070        
  7      0.1104090              0.2634070        
D   1
  1      0.0453770              1.0000000        
D   1
  1      0.0186000              1.0000000        
F   1
  1      1.2203000              1.0000000        
F   1
  1      0.3332000              1.0000000        
F   1
  1      0.1186000              1.0000000        
G   1
  1      0.7324000              1.0000000        
G   1
  1      0.2751000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Tc
data:
TECHNETIUM
S   9
  1    188.5090000              0.0004850        
  2     17.8080000             -0.0430660        
  3     11.1310000              0.2441460        
  4      6.9548300             -0.1935770        
  5      3.9764000             -0.5059760        
  6      1.0938100              0.7962750        
  7      0.5040080              0.4985920        
  8      0.1272060              0.0341460        
  9      0.0630470             -0.0129910        
S   9
  1    188.5090000             -0.0001640        
  2     17.8080000              0.0143460        
  3     11.1310000             -0.0837410        
  4      6.9548300              0.0784280        
  5      3.9764000              0.1569650        
  6      1.0938100             -0.3397950        
  7      0.5040080             -0.3239530        
  8      0.1272060              0.3005360        
  9      0.0630470              0.6094500        
S   9
  1    188.5090000             -0.0001130        
  2     17.8080000              0.0021590        
  3     11.1310000             -0.0586310        
  4      6.9548300             -0.0346400        
  5      3.9764000              0.5239370        
  6      1.0938100             -1.3880530        
  7      0.5040080              0.3582630        
  8      0.1272060              2.2951440        
  9      0.0630470             -1.5928100        
S   9
  1    188.5090000             -0.0004540        
  2     17.8080000              0.0339630        
  3     11.1310000             -0.2396960        
  4      6.9548300              0.2133340        
  5      3.9764000              0.6897390        
  6      1.0938100             -3.4513310        
  7      0.5040080              3.8753210        
  8      0.1272060             -1.6683870        
  9      0.0630470             -0.5242970        
S   1
  1      0.0284080              1.0000000        
S   1
  1      0.0128000              1.0000000        
P   8
  1     21.6444000             -0.0015590        
  2     13.5268000              0.0237090        
  3      5.5426600             -0.1803710        
  4      1.5061100              0.4355170        
  5      0.7616800              0.4764540        
  6      0.3783660              0.2128830        
  7      0.1635880              0.0266430        
  8      0.0689410              0.0001880        
P   8
  1     21.6444000             -0.0000960        
  2     13.5268000             -0.0057220        
  3      5.5426600              0.0539440        
  4      1.5061100             -0.1582580        
  5      0.7616800             -0.1873640        
  6      0.3783660             -0.0448460        
  7      0.1635880              0.3427490        
  8      0.0689410              0.5657040        
P   8
  1     21.6444000             -0.0000390        
  2     13.5268000             -0.0097340        
  3      5.5426600              0.0897940        
  4      1.5061100             -0.2706050        
  5      0.7616800             -0.3378530        
  6      0.3783660              0.0755710        
  7      0.1635880              0.6858690        
  8      0.0689410              0.3823930        
P   8
  1     21.6444000              0.0003340        
  2     13.5268000             -0.0181240        
  3      5.5426600              0.1656770        
  4      1.5061100             -0.6480380        
  5      0.7616800             -0.5825740        
  6      0.3783660              1.4399830        
  7      0.1635880              0.1921730        
  8      0.0689410             -0.9459650        
P   1
  1      0.0286740              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   7
  1     25.3828000              0.0013390        
  2      6.9853800             -0.0132810        
  3      2.4121700              0.1080380        
  4      1.2417700              0.2860310        
  5      0.6052420              0.3608340        
  6      0.2828290              0.3011930        
  7      0.1255600              0.1650010        
D   7
  1     25.3828000             -0.0013560        
  2      6.9853800              0.0137140        
  3      2.4121700             -0.1234670        
  4      1.2417700             -0.3501630        
  5      0.6052420             -0.2873210        
  6      0.2828290              0.2197000        
  7      0.1255600              0.5668830        
D   7
  1     25.3828000              0.0022390        
  2      6.9853800             -0.0238620        
  3      2.4121700              0.3053790        
  4      1.2417700              0.5904270        
  5      0.6052420             -0.3180930        
  6      0.2828290             -0.8455750        
  7      0.1255600              0.3421110        
D   1
  1      0.0514850              1.0000000        
D   1
  1      0.0211000              1.0000000        
F   1
  1      1.4494000              1.0000000        
F   1
  1      0.4015000              1.0000000        
F   1
  1      0.1464000              1.0000000        
G   1
  1      0.8717000              1.0000000        
G   1
  1      0.3410000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ru
data:
RUTHENIUM
S   9
  1    208.2500000              0.0005230        
  2     18.8471000             -0.0449130        
  3     11.7818000              0.2576260        
  4      7.3619500             -0.2091300        
  5      4.2777100             -0.5106620        
  6      1.1910700              0.8032470        
  7      0.5485680              0.4984140        
  8      0.1386940              0.0337660        
  9      0.0676510             -0.0120940        
S   9
  1    208.2500000             -0.0001750        
  2     18.8471000              0.0148030        
  3     11.7818000             -0.0875270        
  4      7.3619500              0.0842820        
  5      4.2777100              0.1549110        
  6      1.1910700             -0.3381410        
  7      0.5485680             -0.3160050        
  8      0.1386940              0.2835260        
  9      0.0676510              0.6092730        
S   9
  1    208.2500000             -0.0001820        
  2     18.8471000              0.0052730        
  3     11.7818000             -0.0785570        
  4      7.3619500             -0.0138970        
  5      4.2777100              0.5479870        
  6      1.1910700             -1.4980850        
  7      0.5485680              0.4795000        
  8      0.1386940              2.1402540        
  9      0.0676510             -1.4545610        
S   9
  1    208.2500000             -0.0006350        
  2     18.8471000              0.0517470        
  3     11.7818000             -0.3171890        
  4      7.3619500              0.3298480        
  5      4.2777100              0.6270530        
  6      1.1910700             -3.4222090        
  7      0.5485680              3.8479480        
  8      0.1386940             -1.6239260        
  9      0.0676510             -0.6032230        
S   1
  1      0.0301410              1.0000000        
S   1
  1      0.0134000              1.0000000        
P   8
  1     22.7753000             -0.0015440        
  2     14.2340000              0.0257710        
  3      5.9875500             -0.1865980        
  4      1.6392400              0.4427740        
  5      0.8278800              0.4781510        
  6      0.4090100              0.2083690        
  7      0.1718770              0.0246350        
  8      0.0712710             -0.0002190        
P   8
  1     22.7753000             -0.0001480        
  2     14.2340000             -0.0091740        
  3      5.9875500              0.0813740        
  4      1.6392400             -0.2361250        
  5      0.8278800             -0.2943330        
  6      0.4090100              0.0150980        
  7      0.1718770              0.6560890        
  8      0.0712710              0.4389440        
P   8
  1     22.7753000             -0.0000630        
  2     14.2340000             -0.0114610        
  3      5.9875500              0.0999930        
  4      1.6392400             -0.3036410        
  5      0.8278800             -0.3638860        
  6      0.4090100              0.1659350        
  7      0.1718770              0.7005450        
  8      0.0712710              0.3189430        
P   8
  1     22.7753000              0.0011030        
  2     14.2340000             -0.0225190        
  3      5.9875500              0.1821610        
  4      1.6392400             -0.7313300        
  5      0.8278800             -0.4901170        
  6      0.4090100              1.5235390        
  7      0.1718770             -0.0391820        
  8      0.0712710             -0.8661830        
P   1
  1      0.0292260              1.0000000        
P   1
  1      0.0120000              1.0000000        
D   7
  1     25.8838000              0.0015230        
  2      7.5925500             -0.0181620        
  3      2.7129300              0.1096910        
  4      1.3970800              0.2915970        
  5      0.6825650              0.3620440        
  6      0.3193780              0.2975140        
  7      0.1417810              0.1610370        
D   7
  1     25.8838000             -0.0015510        
  2      7.5925500              0.0190350        
  3      2.7129300             -0.1257740        
  4      1.3970800             -0.3632850        
  5      0.6825650             -0.2793510        
  6      0.3193780              0.2457120        
  7      0.1417810              0.5472610        
D   7
  1     25.8838000              0.0026560        
  2      7.5925500             -0.0337600        
  3      2.7129300              0.2929230        
  4      1.3970800              0.6173710        
  5      0.6825650             -0.3625300        
  6      0.3193780             -0.8031580        
  7      0.1417810              0.3154610        
D   1
  1      0.0580170              1.0000000        
D   1
  1      0.0237000              1.0000000        
F   1
  1      1.6965000              1.0000000        
F   1
  1      0.4754000              1.0000000        
F   1
  1      0.1768000              1.0000000        
G   1
  1      1.0311000              1.0000000        
G   1
  1      0.4195000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Rh
data:
RHODIUM
S   9
  1    228.9320000              0.0005680        
  2     19.9087000             -0.0468030        
  3     12.4468000              0.2723670        
  4      7.7782100             -0.2301680        
  5      4.5800600             -0.5095540        
  6      1.2906800              0.8098500        
  7      0.5934140              0.4978760        
  8      0.1491580              0.0331540        
  9      0.0719530             -0.0115130        
S   9
  1    228.9320000             -0.0001860        
  2     19.9087000              0.0151800        
  3     12.4468000             -0.0911300        
  4      7.7782100              0.0911990        
  5      4.5800600              0.1503790        
  6      1.2906800             -0.3344630        
  7      0.5934140             -0.3074430        
  8      0.1491580              0.2695540        
  9      0.0719530              0.6048640        
S   9
  1    228.9320000             -0.0002440        
  2     19.9087000              0.0079290        
  3     12.4468000             -0.0938930        
  4      7.7782100              0.0079360        
  5      4.5800600              0.5418830        
  6      1.2906800             -1.4974880        
  7      0.5934140              0.4948550        
  8      0.1491580              1.9905270        
  9      0.0719530             -1.2260370        
S   9
  1    228.9320000             -0.0007250        
  2     19.9087000              0.0599300        
  3     12.4468000             -0.3549510        
  4      7.7782100              0.3902970        
  5      4.5800600              0.5857430        
  6      1.2906800             -3.3028560        
  7      0.5934140              3.6257170        
  8      0.1491580             -1.2367490        
  9      0.0719530             -1.0070470        
S   1
  1      0.0317520              1.0000000        
S   1
  1      0.0140000              1.0000000        
P   8
  1     24.2117000             -0.0015790        
  2     15.1331000              0.0271980        
  3      6.4472000             -0.1914630        
  4      1.7777600              0.4476580        
  5      0.8990200              0.4777240        
  6      0.4445220              0.2058190        
  7      0.1886740              0.0243520        
  8      0.0785140             -0.0000580        
P   8
  1     24.2117000             -0.0001320        
  2     15.1331000             -0.0065320        
  3      6.4472000              0.0564450        
  4      1.7777600             -0.1610630        
  5      0.8990200             -0.1842580        
  6      0.4445220             -0.0336100        
  7      0.1886740              0.3445440        
  8      0.0785140              0.5595730        
P   8
  1     24.2117000              0.0001470        
  2     15.1331000             -0.0133530        
  3      6.4472000              0.1094800        
  4      1.7777600             -0.3362590        
  5      0.8990200             -0.3686360        
  6      0.4445220              0.2138540        
  7      0.1886740              0.6803790        
  8      0.0785140              0.3077610        
P   8
  1     24.2117000              0.0023040        
  2     15.1331000             -0.0272970        
  3      6.4472000              0.1976470        
  4      1.7777600             -0.8063470        
  5      0.8990200             -0.3874520        
  6      0.4445220              1.5168270        
  7      0.1886740             -0.1135820        
  8      0.0785140             -0.8286130        
P   1
  1      0.0321950              1.0000000        
P   1
  1      0.0132000              1.0000000        
D   7
  1     29.4998000              0.0016770        
  2      7.4043700             -0.0184390        
  3      3.0595900              0.1050760        
  4      1.5820500              0.2937700        
  5      0.7748340              0.3641780        
  6      0.3630560              0.2972650        
  7      0.1610470              0.1599580        
D   7
  1     29.4998000             -0.0017860        
  2      7.4043700              0.0201300        
  3      3.0595900             -0.1279690        
  4      1.5820500             -0.3807800        
  5      0.7748340             -0.2708410        
  6      0.3630560              0.2651630        
  7      0.1610470              0.5378200        
D   7
  1     29.4998000              0.0030290        
  2      7.4043700             -0.0362820        
  3      3.0595900              0.2815510        
  4      1.5820500              0.6384210        
  5      0.7748340             -0.3871850        
  6      0.3630560             -0.7962390        
  7      0.1610470              0.3375180        
D   1
  1      0.0656200              1.0000000        
D   1
  1      0.0267000              1.0000000        
F   1
  1      1.9606000              1.0000000        
F   1
  1      0.5553000              1.0000000        
F   1
  1      0.2095000              1.0000000        
G   1
  1      1.1907000              1.0000000        
G   1
  1      0.5001000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   9
  1    247.2020000              0.0006240        
  2     20.7937000             -0.0501980        
  3     13.0019000              0.2962420        
  4      8.1256200             -0.2640150        
  5      4.8884200             -0.5037150        
  6      1.3920600              0.8177430        
  7      0.6383820              0.4964090        
  8      0.1588280              0.0323180        
  9      0.0757930             -0.0110230        
S   9
  1    247.2020000             -0.0002000        
  2     20.7937000              0.0158670        
  3     13.0019000             -0.0968700        
  4      8.1256200              0.1017160        
  5      4.8884200              0.1434910        
  6      1.3920600             -0.3291740        
  7      0.6383820             -0.2996310        
  8      0.1588280              0.2591500        
  9      0.0757930              0.5993290        
S   9
  1    247.2020000             -0.0002890        
  2     20.7937000              0.0100490        
  3     13.0019000             -0.1055420        
  4      8.1256200              0.0255180        
  5      4.8884200              0.5196830        
  6      1.3920600             -1.4174220        
  7      0.6383820              0.4318030        
  8      0.1588280              1.8563460        
  9      0.0757930             -0.9626340        
S   9
  1    247.2020000             -0.0008060        
  2     20.7937000              0.0673350        
  3     13.0019000             -0.3972070        
  4      8.1256200              0.4583510        
  5      4.8884200              0.5570950        
  6      1.3920600             -3.2352070        
  7      0.6383820              3.4344500        
  8      0.1588280             -0.8478430        
  9      0.0757930             -1.3772410        
S   1
  1      0.0331840              1.0000000        
S   1
  1      0.0145000              1.0000000        
P   8
  1     24.8824000             -0.0017220        
  2     15.5517000              0.0315340        
  3      6.9234300             -0.2010620        
  4      1.9228600              0.4525720        
  5      0.9711910              0.4799470        
  6      0.4769190              0.2040450        
  7      0.1938660              0.0225170        
  8      0.0787920             -0.0006140        
P   8
  1     24.8824000             -0.0002120        
  2     15.5517000             -0.0068010        
  3      6.9234300              0.0539880        
  4      1.9228600             -0.1486710        
  5      0.9711910             -0.1667440        
  6      0.4769190             -0.0347260        
  7      0.1938660              0.3263210        
  8      0.0787920              0.5599760        
P   8
  1     24.8824000              0.0002580        
  2     15.5517000             -0.0165210        
  3      6.9234300              0.1208050        
  4      1.9228600             -0.3642750        
  5      0.9711910             -0.3807400        
  6      0.4769190              0.2890590        
  7      0.1938660              0.6824540        
  8      0.0787920              0.2585140        
P   8
  1     24.8824000              0.0034320        
  2     15.5517000             -0.0345360        
  3      6.9234300              0.2162500        
  4      1.9228600             -0.8692850        
  5      0.9711910             -0.2962990        
  6      0.4769190              1.5226960        
  7      0.1938660             -0.2638220        
  8      0.0787920             -0.7598920        
P   1
  1      0.0316530              1.0000000        
P   1
  1      0.0127000              1.0000000        
D   7
  1     29.0204000              0.0021720        
  2      6.4114900             -0.0479580        
  3      3.9973600              0.1033430        
  4      1.8874200              0.2932100        
  5      0.9132080              0.3716870        
  6      0.4256750              0.3064560        
  7      0.1877270              0.1666290        
D   7
  1     29.0204000             -0.0023520        
  2      6.4114900              0.0544140        
  3      3.9973600             -0.1263090        
  4      1.8874200             -0.3977950        
  5      0.9132080             -0.2964330        
  6      0.4256750              0.2617170        
  7      0.1877270              0.5376890        
D   7
  1     29.0204000              0.0037610        
  2      6.4114900             -0.0967630        
  3      3.9973600              0.2519190        
  4      1.8874200              0.7039300        
  5      0.9132080             -0.3283750        
  6      0.4256750             -0.8381000        
  7      0.1877270              0.3242530        
D   1
  1      0.0757900              1.0000000        
D   1
  1      0.0306000              1.0000000        
F   1
  1      2.2329000              1.0000000        
F   1
  1      0.6384000              1.0000000        
F   1
  1      0.2444000              1.0000000        
G   1
  1      1.3721000              1.0000000        
G   1
  1      0.5979000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ag
data:
SILVER
S   9
  1    222.6450000              0.0007000        
  2     20.1725000             -0.0798090        
  3     12.7197000              0.4589790        
  4      8.0021100             -0.5218260        
  5      5.0205300             -0.4075440        
  6      1.5208500              0.8414580        
  7      0.6949200              0.4956480        
  8      0.1729330              0.0276600        
  9      0.0818970             -0.0086430        
S   9
  1    222.6450000             -0.0002080        
  2     20.1725000              0.0228050        
  3     12.7197000             -0.1373250        
  4      8.0021100              0.1730850        
  5      5.0205300              0.1057550        
  6      1.5208500             -0.3140630        
  7      0.6949200             -0.2985340        
  8      0.1729330              0.2313240        
  9      0.0818970              0.5969110        
S   9
  1    222.6450000             -0.0002500        
  2     20.1725000              0.0210250        
  3     12.7197000             -0.1682510        
  4      8.0021100              0.1442000        
  5      5.0205300              0.4139110        
  6      1.5208500             -1.1739400        
  7      0.6949200              0.1871810        
  8      0.1729330              1.7116850        
  9      0.0818970             -0.5350550        
S   9
  1    222.6450000             -0.0007140        
  2     20.1725000              0.0726550        
  3     12.7197000             -0.4696600        
  4      8.0021100              0.5845510        
  5      5.0205300              0.5663560        
  6      1.5208500             -3.2222430        
  7      0.6949200              3.1502630        
  8      0.1729330             -0.1517250        
  9      0.0818970             -1.9921310        
S   1
  1      0.0351900              1.0000000        
S   1
  1      0.0151000              1.0000000        
P   8
  1     22.0490000             -0.0058860        
  2     13.8356000              0.0763570        
  3      7.6299400             -0.2661720        
  4      2.1037200              0.4622010        
  5      1.0626200              0.4894950        
  6      0.5193830              0.2000890        
  7      0.2051990              0.0193450        
  8      0.0829790             -0.0007170        
P   8
  1     22.0490000              0.0005940        
  2     13.8356000             -0.0170800        
  3      7.6299400              0.0679410        
  4      2.1037200             -0.1427200        
  5      1.0626200             -0.1683930        
  6      0.5193830             -0.0329600        
  7      0.2051990              0.3267400        
  8      0.0829790              0.5580540        
P   8
  1     22.0490000              0.0022350        
  2     13.8356000             -0.0383630        
  3      7.6299400              0.1454190        
  4      2.1037200             -0.3278470        
  5      1.0626200             -0.3817440        
  6      0.5193830              0.2524550        
  7      0.2051990              0.6915130        
  8      0.0829790              0.2763110        
P   8
  1     22.0490000              0.0087290        
  2     13.8356000             -0.0828090        
  3      7.6299400              0.2865900        
  4      2.1037200             -0.8760860        
  5      1.0626200             -0.3443670        
  6      0.5193830              1.5334530        
  7      0.2051990             -0.2330540        
  8      0.0829790             -0.7471730        
P   1
  1      0.0331440              1.0000000        
P   1
  1      0.0132000              1.0000000        
D   7
  1     73.2665000              0.0004510        
  2     18.7729000              0.0059840        
  3     10.9237000             -0.0189680        
  4      3.0019700              0.1923860        
  5      1.4717700              0.3721720        
  6      0.6847640              0.3721880        
  7      0.3003970              0.2300660        
D   7
  1     73.2665000             -0.0006060        
  2     18.7729000             -0.0075860        
  3     10.9237000              0.0246380        
  4      3.0019700             -0.3135690        
  5      1.4717700             -0.5000300        
  6      0.6847640              0.1211390        
  7      0.3003970              0.5946850        
D   7
  1     73.2665000              0.0004890        
  2     18.7729000              0.0155170        
  3     10.9237000             -0.0470560        
  4      3.0019700              0.6569190        
  5      1.4717700              0.2238260        
  6      0.6847640             -1.1068170        
  7      0.3003970              0.1657200        
D   1
  1      0.1201550              1.0000000        
D   1
  1      0.0481000              1.0000000        
F   1
  1      2.5431000              1.0000000        
F   1
  1      0.7381000              1.0000000        
F   1
  1      0.2889000              1.0000000        
G   1
  1      1.5751000              1.0000000        
G   1
  1      0.7090000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Cd
data:
CADMIUM
S   9
  1    257.4970000              0.0007680        
  2     21.3546000             -0.0781940        
  3     13.4806000              0.4609280        
  4      8.4865100             -0.5362100        
  5      5.3255100             -0.4008230        
  6      1.6268600              0.8553620        
  7      0.7404690              0.4898680        
  8      0.1809330              0.0220290        
  9      0.0850960             -0.0083600        
S   9
  1    257.4970000             -0.0002310        
  2     21.3546000              0.0222790        
  3     13.4806000             -0.1382050        
  4      8.4865100              0.1777840        
  5      5.3255100              0.1056950        
  6      1.6268600             -0.3259540        
  7      0.7404690             -0.2993250        
  8      0.1809330              0.2821000        
  9      0.0850960              0.6020440        
S   9
  1    257.4970000              0.0004270        
  2     21.3546000             -0.0241760        
  3     13.4806000              0.2190290        
  4      8.4865100             -0.1984150        
  5      5.3255100             -0.5647670        
  6      1.6268600              1.8215160        
  7      0.7404690             -0.8098690        
  8      0.1809330             -1.9098510        
  9      0.0850960              1.4360880        
S   9
  1    257.4970000              0.0014390        
  2     21.3546000             -0.1719290        
  3     13.4806000              0.9499110        
  4      8.4865100             -1.5172470        
  5      5.3255100              0.1055120        
  6      1.6268600              3.3939830        
  7      0.7404690             -4.0474090        
  8      0.1809330              2.4869710        
  9      0.0850960             -0.5824690        
S   1
  1      0.0363840              1.0000000        
S   1
  1      0.0156000              1.0000000        
P   8
  1    243.1650000              0.0001130        
  2     13.9588000              0.0696720        
  3      8.3100100             -0.2536750        
  4      2.2020000              0.4824920        
  5      1.1007200              0.4845500        
  6      0.5359750              0.1796400        
  7      0.2136540              0.0152290        
  8      0.0854690             -0.0001880        
P   8
  1    243.1650000             -0.0000370        
  2     13.9588000             -0.0165070        
  3      8.3100100              0.0636620        
  4      2.2020000             -0.1465210        
  5      1.1007200             -0.1561870        
  6      0.5359750             -0.0273550        
  7      0.2136540              0.3226010        
  8      0.0854690              0.5566980        
P   8
  1    243.1650000             -0.0000610        
  2     13.9588000             -0.0330520        
  3      8.3100100              0.1255300        
  4      2.2020000             -0.3052730        
  5      1.1007200             -0.3223690        
  6      0.5359750              0.1819080        
  7      0.2136540              0.6863790        
  8      0.0854690              0.3216860        
P   8
  1    243.1650000             -0.0000860        
  2     13.9588000             -0.0719040        
  3      8.3100100              0.2712270        
  4      2.2020000             -0.9039590        
  5      1.1007200             -0.2760210        
  6      0.5359750              1.4946140        
  7      0.2136540             -0.2070140        
  8      0.0854690             -0.7304040        
P   1
  1      0.0338230              1.0000000        
P   1
  1      0.0134000              1.0000000        
D   7
  1     86.0666000              0.0004430        
  2     22.6386000              0.0050060        
  3     12.1384000             -0.0160770        
  4      3.4408100              0.1771520        
  5      1.7176100              0.3666560        
  6      0.8148490              0.3772260        
  7      0.3660070              0.2339200        
D   7
  1     86.0666000              0.0006330        
  2     22.6386000              0.0073050        
  3     12.1384000             -0.0238720        
  4      3.4408100              0.3340440        
  5      1.7176100              0.5448850        
  6      0.8148490             -0.1745820        
  7      0.3660070             -0.6047310        
D   7
  1     86.0666000             -0.0003260        
  2     22.6386000             -0.0146770        
  3     12.1384000              0.0459900        
  4      3.4408100             -0.6525580        
  5      1.7176100             -0.2130730        
  6      0.8148490              1.1468110        
  7      0.3660070             -0.2158710        
D   1
  1      0.1502820              1.0000000        
D   1
  1      0.0617000              1.0000000        
F   1
  1      2.9086000              1.0000000        
F   1
  1      0.8508000              1.0000000        
F   1
  1      0.3389000              1.0000000        
G   1
  1      1.8019000              1.0000000        
G   1
  1      0.8344000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: In
data:
INDIUM
S   9
  1   2378.0400000              0.0000920        
  2    360.9980000              0.0004790        
  3     45.6335000              0.0125760        
  4     28.5149000             -0.0884220        
  5     17.8220000              0.2522560        
  6      6.6299000             -0.7190570        
  7      1.7095400              0.8596060        
  8      0.7984450              0.4740660        
  9      0.0435410              0.0017710        
S   9
  1   2378.0400000              0.0000280        
  2    360.9980000              0.0001990        
  3     45.6335000              0.0018350        
  4     28.5149000             -0.0201770        
  5     17.8220000              0.0720460        
  6      6.6299000             -0.2449900        
  7      1.7095400              0.3932400        
  8      0.7984450              0.3284130        
  9      0.0435410             -0.2018870        
S   1
  1      0.2047370              1.0000000        
S   1
  1      0.0966770              1.0000000        
S   1
  1      0.0518000              1.0000000        
S   1
  1      0.0180000              1.0000000        
P   9
  1    266.9020000              0.0001080        
  2     14.7312000              0.0736840        
  3      8.8277900             -0.2642980        
  4      2.3595300              0.4947510        
  5      1.1759100              0.4936840        
  6      0.5675680              0.1638510        
  7      0.2129400              0.0100830        
  8      0.0828070             -0.0002200        
  9      0.0320770              0.0001980        
P   9
  1    266.9020000             -0.0000320        
  2     14.7312000             -0.0152100        
  3      8.8277900              0.0579220        
  4      2.3595300             -0.1300470        
  5      1.1759100             -0.1371410        
  6      0.5675680             -0.0287310        
  7      0.2129400              0.3016610        
  8      0.0828070              0.5566390        
  9      0.0320770              0.2912400        
P   1
  1      0.2640000              1.0000000        
P   1
  1      0.0416000              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   7
  1    117.2790000              0.0002810        
  2     32.6865000              0.0024780        
  3     13.1906000             -0.0124390        
  4      4.0182100              0.1400700        
  5      2.1494800              0.3303050        
  6      1.0912600              0.3753580        
  7      0.5319410              0.2582690        
D   1
  1      0.2436870              1.0000000        
D   1
  1      0.0907000              1.0000000        
D   1
  1      0.0302000              1.0000000        
F   1
  1      0.2549000              1.0000000        
F   1
  1      0.0895000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Sn
data:
TIN
S   9
  1   3672.4000000              0.0001170        
  2    558.1430000              0.0006870        
  3    114.0890000              0.0021300        
  4     31.4006000             -0.0376690        
  5     19.6318000              0.1591490        
  6      6.7720500             -0.6517540        
  7      1.8335100              0.8376920        
  8      0.8777150              0.4884260        
  9      0.0517570              0.0018720        
S   9
  1   3672.4000000              0.0000430        
  2    558.1430000              0.0003070        
  3    114.0890000              0.0004960        
  4     31.4006000             -0.0091050        
  5     19.6318000              0.0498980        
  6      6.7720500             -0.2498540        
  7      1.8335100              0.4440970        
  8      0.8777150              0.3520250        
  9      0.0517570             -0.1655790        
S   1
  1      0.2373960              1.0000000        
S   1
  1      0.1120680              1.0000000        
S   1
  1      0.0638000              1.0000000        
S   1
  1      0.0251000              1.0000000        
P   9
  1    216.9700000              0.0002260        
  2     20.9102000              0.0229170        
  3      8.7961100             -0.1971460        
  4      2.5673700              0.4679170        
  5      1.3145100              0.4960430        
  6      0.6535910              0.1766100        
  7      0.2721500              0.0128500        
  8      0.1107360              0.0001190        
  9      0.0440340              0.0001730        
P   9
  1    216.9700000             -0.0000810        
  2     20.9102000             -0.0054570        
  3      8.7961100              0.0530050        
  4      2.5673700             -0.1546650        
  5      1.3145100             -0.1589400        
  6      0.6535910             -0.0497030        
  7      0.2721500              0.3271270        
  8      0.1107360              0.5670890        
  9      0.0440340              0.2642970        
P   1
  1      0.3451000              1.0000000        
P   1
  1      0.0568000              1.0000000        
P   1
  1      0.0202000              1.0000000        
D   7
  1    130.2430000              0.0003190        
  2     36.7762000              0.0026780        
  3     14.6321000             -0.0101090        
  4      4.6969500              0.1197680        
  5      2.5307800              0.3226000        
  6      1.3017400              0.3842380        
  7      0.6465750              0.2653580        
D   1
  1      0.3023160              1.0000000        
D   1
  1      0.1160000              1.0000000        
D   1
  1      0.0425000              1.0000000        
F   1
  1      0.2822000              1.0000000        
F   1
  1      0.1093000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Sb
data:
ANTIMONY
S   9
  1   3928.3300000              0.0001540        
  2    593.8890000              0.0009310        
  3    120.1850000              0.0028210        
  4     29.5140000             -0.0553190        
  5     18.4422000              0.2433120        
  6      7.4757100             -0.7383240        
  7      1.9513600              0.8663100        
  8      0.9522580              0.4713110        
  9      0.0626280              0.0013620        
S   9
  1   3928.3300000              0.0000620        
  2    593.8890000              0.0004280        
  3    120.1850000              0.0008770        
  4     29.5140000             -0.0157130        
  5     18.4422000              0.0830030        
  6      7.4757100             -0.2954330        
  7      1.9513600              0.4816030        
  8      0.9522580              0.3837680        
  9      0.0626280             -0.1674290        
S   1
  1      0.2879680              1.0000000        
S   1
  1      0.1363960              1.0000000        
S   1
  1      0.0764000              1.0000000        
S   1
  1      0.0304000              1.0000000        
P   9
  1    210.4710000              0.0002640        
  2     16.1414000              0.0799050        
  3      9.8253000             -0.2769490        
  4      2.7526700              0.4836600        
  5      1.4214800              0.5006970        
  6      0.7162460              0.1665980        
  7      0.3202050              0.0119690        
  8      0.1350880              0.0002790        
  9      0.0551300             -0.0000050        
P   9
  1    210.4710000             -0.0001020        
  2     16.1414000             -0.0217610        
  3      9.8253000              0.0806610        
  4      2.7526700             -0.1746280        
  5      1.4214800             -0.1841540        
  6      0.7162460             -0.0534720        
  7      0.3202050              0.3583120        
  8      0.1350880              0.5683580        
  9      0.0551300              0.2383430        
P   1
  1      0.4332000              1.0000000        
P   1
  1      0.0737200              1.0000000        
P   1
  1      0.0271000              1.0000000        
D   7
  1    135.7750000              0.0003830        
  2     38.7746000              0.0030350        
  3     13.4922000             -0.0114660        
  4      5.0832700              0.1159020        
  5      2.7895800              0.3212690        
  6      1.4615900              0.3870740        
  7      0.7408450              0.2624240        
D   1
  1      0.3531300              1.0000000        
D   1
  1      0.1393000              1.0000000        
D   1
  1      0.0520000              1.0000000        
F   1
  1      0.3244000              1.0000000        
F   1
  1      0.1223000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Te
data:
TELLURIUM
S   9
  1   5324.9800000              0.0002030        
  2    803.6740000              0.0013120        
  3    175.1460000              0.0038220        
  4     29.6182000             -0.0452470        
  5     18.5344000              0.2468860        
  6      7.9615000             -0.7501600        
  7      2.0653900              0.8794950        
  8      1.0245700              0.4581140        
  9      0.0720190              0.0010900        
S   9
  1   5324.9800000             -0.0000930        
  2    803.6740000             -0.0006440        
  3    175.1460000             -0.0016200        
  4     29.6182000              0.0122950        
  5     18.5344000             -0.0883860        
  6      7.9615000              0.3181100        
  7      2.0653900             -0.5307770        
  8      1.0245700             -0.3968780        
  9      0.0720190              0.1561030        
S   1
  1      0.3338430              1.0000000        
S   1
  1      0.1578110              1.0000000        
S   1
  1      0.0884000              1.0000000        
S   1
  1      0.0354000              1.0000000        
P   9
  1    193.7750000              0.0004000        
  2     17.5508000              0.0686080        
  3     10.1951000             -0.2665700        
  4      2.9737700              0.4735330        
  5      1.5564700              0.5102310        
  6      0.7875460              0.1675130        
  7      0.3684730              0.0117410        
  8      0.1542730              0.0011710        
  9      0.0619050              0.0000750        
P   9
  1    193.7750000             -0.0001670        
  2     17.5508000             -0.0200760        
  3     10.1951000              0.0844810        
  4      2.9737700             -0.1888350        
  5      1.5564700             -0.2053640        
  6      0.7875460             -0.0507390        
  7      0.3684730              0.3853020        
  8      0.1542730              0.5591880        
  9      0.0619050              0.2313120        
P   1
  1      0.5043000              1.0000000        
P   1
  1      0.0815000              1.0000000        
P   1
  1      0.0306000              1.0000000        
D   7
  1    142.6170000              0.0004610        
  2     41.0605000              0.0035350        
  3     13.0622000             -0.0118350        
  4      5.7251500              0.1059670        
  5      3.1338100              0.3189520        
  6      1.6568200              0.3923070        
  7      0.8515750              0.2640890        
D   1
  1      0.4121280              1.0000000        
D   1
  1      0.1651000              1.0000000        
D   1
  1      0.0643000              1.0000000        
F   1
  1      0.3494000              1.0000000        
F   1
  1      0.1413000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: I
data:
IODINE
S   9
  1      5.546500E+03           1.560000E-04     
  2      8.382140E+02           9.860000E-04     
  3      1.821870E+02           2.792000E-03     
  4      3.121230E+01          -4.325100E-02     
  5      1.953140E+01           2.341340E-01     
  6      8.240990E+00          -7.509430E-01     
  7      2.194550E+00           8.829680E-01     
  8      1.109110E+00           4.620610E-01     
  9      8.106100E-02           1.102000E-03     
S   9
  1      5.546500E+03          -7.300000E-05     
  2      8.382140E+02          -5.080000E-04     
  3      1.821870E+02          -1.158000E-03     
  4      3.121230E+01           1.219300E-02     
  5      1.953140E+01          -8.785400E-02     
  6      8.240990E+00           3.382000E-01     
  7      2.194550E+00          -5.765500E-01     
  8      1.109110E+00          -4.092980E-01     
  9      8.106100E-02           1.432310E-01     
S   1
  1      3.746410E-01           1.0000000        
S   1
  1      1.770800E-01           1.0000000        
S   1
  1      1.001000E-01           1.0000000        
S   1
  1      4.120000E-02           1.0000000        
P   9
  1      1.889880E+02           5.850000E-04     
  2      2.128680E+01           3.692300E-02     
  3      1.003960E+01          -2.353240E-01     
  4      3.451800E+00           3.414830E-01     
  5      1.974560E+00           5.347880E-01     
  6      1.024200E+00           2.651410E-01     
  7      4.494370E-01           2.578700E-02     
  8      1.866480E-01           5.220000E-04     
  9      7.348100E-02           6.060000E-04     
P   9
  1      1.889880E+02          -2.560000E-04     
  2      2.128680E+01          -1.168200E-02     
  3      1.003960E+01           8.319200E-02     
  4      3.451800E+00          -1.569700E-01     
  5      1.974560E+00          -2.245180E-01     
  6      1.024200E+00          -1.144510E-01     
  7      4.494370E-01           3.753560E-01     
  8      1.866480E-01           5.751360E-01     
  9      7.348100E-02           2.459170E-01     
P   1
  1      5.981000E-01           1.0000000        
P   1
  1      9.618000E-02           1.0000000        
P   1
  1      3.590000E-02           1.0000000        
D   7
  1      1.326620E+02           5.720000E-04     
  2      3.760540E+01           4.402000E-03     
  3      1.038910E+01          -4.092200E-02     
  4      6.490170E+00           9.966100E-02     
  5      3.454510E+00           3.226630E-01     
  6      1.844130E+00           4.003430E-01     
  7      9.624780E-01           2.683060E-01     
D   1
  1      4.728530E-01           1.0000000        
D   1
  1      1.932000E-01           1.0000000        
D   1
  1      7.820000E-02           1.0000000        
F   1
  1      4.064000E-01           1.0000000        
F   1
  1      1.848000E-01           1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Xe
data:
XENON
S   9
  1   6456.4000000              0.0002500        
  2    974.0610000              0.0016300        
  3    214.4290000              0.0047330        
  4     31.3308000             -0.0336990        
  5     19.6130000              0.2439310        
  6      8.8860900             -0.7646530        
  7      2.3250800              0.9007940        
  8      1.1842200              0.4415130        
  9      0.0921780              0.0008510        
S   9
  1   6456.4000000             -0.0001300        
  2    974.0610000             -0.0008850        
  3    214.4290000             -0.0023580        
  4     31.3308000              0.0072910        
  5     19.6130000             -0.0926390        
  6      8.8860900              0.3537950        
  7      2.3250800             -0.6158300        
  8      1.1842200             -0.4130600        
  9      0.0921780              0.1423370        
S   1
  1      0.4268540              1.0000000        
S   1
  1      0.2016450              1.0000000        
S   1
  1      0.1143000              1.0000000        
S   1
  1      0.0476000              1.0000000        
P   9
  1    191.1700000              0.0007650        
  2     22.5178000              0.0369520        
  3     10.0604000             -0.2806880        
  4      5.5576200              0.1427170        
  5      2.6962500              0.6356540        
  6      1.3076400              0.3932570        
  7      0.5306750              0.0410560        
  8      0.2224610             -0.0022510        
  9      0.0868810              0.0007740        
P   9
  1    191.1700000             -0.0003290        
  2     22.5178000             -0.0127810        
  3     10.0604000              0.1082740        
  4      5.5576200             -0.0720510        
  5      2.6962500             -0.2845800        
  6      1.3076400             -0.1852050        
  7      0.5306750              0.3583360        
  8      0.2224610              0.5883940        
  9      0.0868810              0.2572450        
P   1
  1      0.6953000              1.0000000        
P   1
  1      0.1135000              1.0000000        
P   1
  1      0.0420000              1.0000000        
D   7
  1    142.9710000              0.0007360        
  2     41.3057000              0.0053720        
  3     10.9222000             -0.0288270        
  4      6.8240800              0.1199100        
  5      3.6669600              0.3324640        
  6      1.9828900              0.3892090        
  7      1.0539900              0.2483590        
D   1
  1      0.5299030              1.0000000        
D   1
  1      0.2192000              1.0000000        
D   1
  1      0.0917000              1.0000000        
F   1
  1      0.4779000              1.0000000        
F   1
  1      0.2287000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Hf
data:
HAFNIUM
S   9
  1     26.5042000              0.0320170        
  2     16.5840000             -0.2583380        
  3     10.3831000              0.7419580        
  4      6.4955000             -0.5972460        
  5      3.4643100             -0.4674330        
  6      0.9862000              0.7814380        
  7      0.4578280              0.5337560        
  8      0.1321180              0.0363800        
  9      0.0669670             -0.0136480        
S   9
  1     26.5042000             -0.0092200        
  2     16.5840000              0.0766750        
  3     10.3831000             -0.2256410        
  4      6.4955000              0.1855680        
  5      3.4643100              0.1565490        
  6      0.9862000             -0.3114170        
  7      0.4578280             -0.3945230        
  8      0.1321180              0.2034830        
  9      0.0669670              0.6862960        
S   9
  1     26.5042000             -0.0051870        
  2     16.5840000              0.0780690        
  3     10.3831000             -0.2633410        
  4      6.4955000              0.1631730        
  5      3.4643100              0.4121450        
  6      0.9862000             -0.9279190        
  7      0.4578280             -0.3552850        
  8      0.1321180              2.5901110        
  9      0.0669670             -1.2877130        
S   9
  1     26.5042000              0.0266200        
  2     16.5840000             -0.0510920        
  3     10.3831000             -0.0133860        
  4      6.4955000             -0.2493960        
  5      3.4643100              1.1377230        
  6      0.9862000             -3.2919740        
  7      0.4578280              3.0952960        
  8      0.1321180              0.5233810        
  9      0.0669670             -2.9817690        
S   1
  1      0.0290100              1.0000000        
S   1
  1      0.0126000              1.0000000        
P   8
  1     15.2724000             -0.0249160        
  2      9.5703500              0.1349670        
  3      5.0361800             -0.3145280        
  4      1.1521500              0.4766040        
  5      0.5624010              0.4841910        
  6      0.2742040              0.1844940        
  7      0.1205050              0.0186390        
  8      0.0528120              0.0015040        
P   8
  1     15.2724000              0.0066140        
  2      9.5703500             -0.0369260        
  3      5.0361800              0.0887770        
  4      1.1521500             -0.1514170        
  5      0.5624010             -0.2041520        
  6      0.2742040             -0.0401350        
  7      0.1205050              0.3663260        
  8      0.0528120              0.5626960        
P   8
  1     15.2724000              0.0094170        
  2      9.5703500             -0.0530870        
  3      5.0361800              0.1282870        
  4      1.1521500             -0.2170080        
  5      0.5624010             -0.3251220        
  6      0.2742040             -0.0046510        
  7      0.1205050              0.7343430        
  8      0.0528120              0.3849980        
P   8
  1     15.2724000              0.0190460        
  2      9.5703500             -0.1039530        
  3      5.0361800              0.2510270        
  4      1.1521500             -0.5289630        
  5      0.5624010             -0.8006570        
  6      0.2742040              1.6510980        
  7      0.1205050              0.1195080        
  8      0.0528120             -0.9590230        
P   1
  1      0.0228910              1.0000000        
P   1
  1      0.0099000              1.0000000        
D   7
  1     11.9756000             -0.0014780        
  2      7.4799800              0.0187080        
  3      4.6738300             -0.0580870        
  4      1.1750300              0.1823340        
  5      0.5283500              0.3486640        
  6      0.2277570              0.3933500        
  7      0.0941690              0.2772230        
D   7
  1     11.9756000              0.0012390        
  2      7.4799800             -0.0202160        
  3      4.6738300              0.0669450        
  4      1.1750300             -0.2392560        
  5      0.5283500             -0.4736770        
  6      0.2277570             -0.0843030        
  7      0.0941690              0.6333300        
D   7
  1     11.9756000             -0.0031330        
  2      7.4799800              0.0334770        
  3      4.6738300             -0.1038090        
  4      1.1750300              0.4716820        
  5      0.5283500              0.5191890        
  6      0.2277570             -1.0917460        
  7      0.0941690              0.0084120        
D   1
  1      0.0366310              1.0000000        
D   1
  1      0.0142000              1.0000000        
F   1
  1      0.5521000              1.0000000        
F   1
  1      0.1605000              1.0000000        
F   1
  1      0.0505000              1.0000000        
G   1
  1      0.3579000              1.0000000        
G   1
  1      0.1074000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ta
data:
TANTALUM
S   9
  1     27.1236000              0.0310530        
  2     16.9695000             -0.2562460        
  3     10.6228000              0.7537040        
  4      6.6449300             -0.6221810        
  5      3.5948000             -0.4709360        
  6      1.0504400              0.7957440        
  7      0.4928350              0.5320760        
  8      0.1487360              0.0359520        
  9      0.0722280             -0.0130440        
S   9
  1     27.1236000             -0.0090380        
  2     16.9695000              0.0776200        
  3     10.6228000             -0.2351160        
  4      6.6449300              0.1985680        
  5      3.5948000              0.1643530        
  6      1.0504400             -0.3367730        
  7      0.4928350             -0.3948460        
  8      0.1487360              0.2230040        
  9      0.0722280              0.6886390        
S   9
  1     27.1236000             -0.0036940        
  2     16.9695000              0.0741990        
  3     10.6228000             -0.2667320        
  4      6.6449300              0.1638740        
  5      3.5948000              0.4542910        
  6      1.0504400             -1.0387690        
  7      0.4928350             -0.2840230        
  8      0.1487360              2.4631730        
  9      0.0722280             -1.1724650        
S   9
  1     27.1236000              0.0199390        
  2     16.9695000             -0.0119830        
  3     10.6228000             -0.1263190        
  4      6.6449300             -0.1072520        
  5      3.5948000              1.0858150        
  6      1.0504400             -3.3698120        
  7      0.4928350              3.2164070        
  8      0.1487360              0.3284360        
  9      0.0722280             -2.7861580        
S   1
  1      0.0309970              1.0000000        
S   1
  1      0.0133000              1.0000000        
P   8
  1     15.5273000             -0.0247840        
  2      9.7259300              0.1412710        
  3      5.2380300             -0.3273280        
  4      1.2270200              0.4834390        
  5      0.6053810              0.4839520        
  6      0.2963140              0.1812620        
  7      0.1305110              0.0183560        
  8      0.0571160              0.0014010        
P   8
  1     15.5273000              0.0068180        
  2      9.7259300             -0.0402940        
  3      5.2380300              0.0966590        
  4      1.2270200             -0.1633710        
  5      0.6053810             -0.2142180        
  6      0.2963140             -0.0232540        
  7      0.1305110              0.3814550        
  8      0.0571160              0.5524390        
P   8
  1     15.5273000              0.0100470        
  2      9.7259300             -0.0601510        
  3      5.2380300              0.1452770        
  4      1.2270200             -0.2448290        
  5      0.6053810             -0.3637170        
  6      0.2963140              0.0650640        
  7      0.1305110              0.7639420        
  8      0.0571160              0.3237320        
P   8
  1     15.5273000              0.0206680        
  2      9.7259300             -0.1177830        
  3      5.2380300              0.2832870        
  4      1.2270200             -0.6451770        
  5      0.6053810             -0.6698480        
  6      0.2963140              1.6952860        
  7      0.1305110             -0.0513130        
  8      0.0571160             -0.8985720        
P   1
  1      0.0246790              1.0000000        
P   1
  1      0.0107000              1.0000000        
D   7
  1     12.1917000             -0.0017560        
  2      7.6161300              0.0229090        
  3      4.7595400             -0.0715900        
  4      1.2759000              0.1997750        
  5      0.5929460              0.3628730        
  6      0.2642870              0.3846300        
  7      0.1124950              0.2504110        
D   7
  1     12.1917000              0.0014680        
  2      7.6161300             -0.0248100        
  3      4.7595400              0.0829610        
  4      1.2759000             -0.2725710        
  5      0.5929460             -0.4890720        
  6      0.2642870             -0.0016350        
  7      0.1124950              0.6453820        
D   7
  1     12.1917000             -0.0034800        
  2      7.6161300              0.0408190        
  3      4.7595400             -0.1314870        
  4      1.2759000              0.5878110        
  5      0.5929460              0.4024980        
  6      0.2642870             -1.1685840        
  7      0.1124950              0.1607410        
D   1
  1      0.0447800              1.0000000        
D   1
  1      0.0178000              1.0000000        
F   1
  1      0.6951000              1.0000000        
F   1
  1      0.2086000              1.0000000        
F   1
  1      0.0708000              1.0000000        
G   1
  1      0.4780000              1.0000000        
G   1
  1      0.1604000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: W
data:
TUNGSTEN
S   9
  1     28.3881000              0.0286980        
  2     17.7568000             -0.2410370        
  3     11.1120000              0.7152180        
  4      6.9493400             -0.5713300        
  5      3.8150600             -0.5072560        
  6      1.1124900              0.8128760        
  7      0.5254010              0.5252410        
  8      0.1615290              0.0346380        
  9      0.0764090             -0.0129350        
S   9
  1     28.3881000             -0.0084840        
  2     17.7568000              0.0745440        
  3     11.1120000             -0.2285180        
  4      6.9493400              0.1874400        
  5      3.8150600              0.1806120        
  6      1.1124900             -0.3615620        
  7      0.5254010             -0.3873630        
  8      0.1615290              0.2480770        
  9      0.0764090              0.6828620        
S   9
  1     28.3881000             -0.0018080        
  2     17.7568000              0.0639220        
  3     11.1120000             -0.2421830        
  4      6.9493400              0.1239880        
  5      3.8150600              0.5003090        
  6      1.1124900             -1.1225650        
  7      0.5254010             -0.1993080        
  8      0.1615290              2.3607790        
  9      0.0764090             -1.1023500        
S   9
  1     28.3881000              0.0138380        
  2     17.7568000              0.0202260        
  3     11.1120000             -0.2093720        
  4      6.9493400             -0.0130360        
  5      3.8150600              1.0461320        
  6      1.1124900             -3.4415170        
  7      0.5254010              3.3512290        
  8      0.1615290              0.1364630        
  9      0.0764090             -2.6080750        
S   1
  1      0.0326700              1.0000000        
S   1
  1      0.0140000              1.0000000        
P   8
  1     16.5554000             -0.0252630        
  2     10.3744000              0.1409610        
  3      5.5219000             -0.3299160        
  4      1.2890200              0.5017200        
  5      0.6355960              0.4805660        
  6      0.3096450              0.1689050        
  7      0.1370120              0.0157270        
  8      0.0599380              0.0014690        
P   8
  1     16.5554000              0.0071290        
  2     10.3744000             -0.0411130        
  3      5.5219000              0.0996190        
  4      1.2890200             -0.1760570        
  5      0.6355960             -0.2167410        
  6      0.3096450             -0.0011430        
  7      0.1370120              0.3928970        
  8      0.0599380              0.5406250        
P   8
  1     16.5554000              0.0109680        
  2     10.3744000             -0.0640750        
  3      5.5219000              0.1564780        
  4      1.2890200             -0.2790200        
  5      0.6355960             -0.3897030        
  6      0.3096450              0.1566280        
  7      0.1370120              0.7687580        
  8      0.0599380              0.2655370        
P   8
  1     16.5554000              0.0221780        
  2     10.3744000             -0.1230550        
  3      5.5219000              0.2995730        
  4      1.2890200             -0.7580510        
  5      0.6355960             -0.4980530        
  6      0.3096450              1.7176990        
  7      0.1370120             -0.2467290        
  8      0.0599380             -0.8204790        
P   1
  1      0.0258750              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   7
  1     13.6383000             -0.0026060        
  2      8.5173400              0.0290880        
  3      5.3232800             -0.0831780        
  4      1.3931900              0.2105050        
  5      0.6543070              0.3794490        
  6      0.2943900              0.3825380        
  7      0.1257220              0.2279060        
D   7
  1     13.6383000              0.0025740        
  2      8.5173400             -0.0333260        
  3      5.3232800              0.1006620        
  4      1.3931900             -0.3117890        
  5      0.6543070             -0.5101020        
  6      0.2943900              0.1043210        
  7      0.1257220              0.6647930        
D   7
  1     13.6383000              0.0068120        
  2      8.5173400             -0.0594810        
  3      5.3232800              0.1659640        
  4      1.3931900             -0.7073810        
  5      0.6543070             -0.2548900        
  6      0.2943900              1.2651180        
  7      0.1257220             -0.4506990        
D   1
  1      0.0497170              1.0000000        
D   1
  1      0.0197000              1.0000000        
F   1
  1      0.8266000              1.0000000        
F   1
  1      0.2560000              1.0000000        
F   1
  1      0.0913000              1.0000000        
G   1
  1      0.6205000              1.0000000        
G   1
  1      0.2286000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Re
data:
RHENIUM
S   9
  1     30.4120000              0.0229870        
  2     19.0142000             -0.1976360        
  3     11.8921000              0.5813760        
  4      7.4336100             -0.3840040        
  5      4.1811300             -0.6002800        
  6      1.1685700              0.8264270        
  7      0.5539770              0.5102290        
  8      0.1707810              0.0365510        
  9      0.0792870             -0.0087660        
S   9
  1     30.4120000             -0.0072090        
  2     19.0142000              0.0645740        
  3     11.8921000             -0.1963520        
  4      7.4336100              0.1354270        
  5      4.1811300              0.2175540        
  6      1.1685700             -0.3902690        
  7      0.5539770             -0.3723360        
  8      0.1707810              0.2672200        
  9      0.0792870              0.6716710        
S   9
  1     30.4120000              0.0008190        
  2     19.0142000              0.0437380        
  3     11.8921000             -0.1772190        
  4      7.4336100              0.0197240        
  5      4.1811300              0.5658650        
  6      1.1685700             -1.1960450        
  7      0.5539770             -0.0926010        
  8      0.1707810              2.2639340        
  9      0.0792870             -1.0605870        
S   9
  1     30.4120000             -0.0059360        
  2     19.0142000             -0.0062770        
  3     11.8921000              0.0754730        
  4      7.4336100              0.0512310        
  5      4.1811300             -0.5040200        
  6      1.1685700              1.6252170        
  7      0.5539770             -1.6511890        
  8      0.1707810              0.1479060        
  9      0.0792870              0.9643860        
S   1
  1      0.0339090              1.0000000        
S   1
  1      0.0145000              1.0000000        
P   8
  1     18.3488000             -0.0168770        
  2     11.4877000              0.0929150        
  3      5.4325600             -0.2914010        
  4      1.3785900              0.4982270        
  5      0.6887660              0.4796070        
  6      0.3380830              0.1752920        
  7      0.1491600              0.0173410        
  8      0.0643210              0.0013480        
P   8
  1     18.3488000              0.0046080        
  2     11.4877000             -0.0268720        
  3      5.4325600              0.0889710        
  4      1.3785900             -0.1794810        
  5      0.6887660             -0.2111050        
  6      0.3380830             -0.0043780        
  7      0.1491600              0.3822050        
  8      0.0643210              0.5438540        
P   8
  1     18.3488000              0.0073690        
  2     11.4877000             -0.0437140        
  3      5.4325600              0.1463200        
  4      1.3785900             -0.3009630        
  5      0.6887660             -0.4000020        
  6      0.3380830              0.1900900        
  7      0.1491600              0.7604950        
  8      0.0643210              0.2562560        
P   8
  1     18.3488000              0.0150340        
  2     11.4877000             -0.0837840        
  3      5.4325600              0.2804860        
  4      1.3785900             -0.8342650        
  5      0.6887660             -0.4202230        
  6      0.3380830              1.7104440        
  7      0.1491600             -0.3011560        
  8      0.0643210             -0.7920800        
P   1
  1      0.0273440              1.0000000        
P   1
  1      0.0116000              1.0000000        
D   7
  1     13.8248000             -0.0010140        
  2      8.6358600              0.0200690        
  3      5.3969500             -0.0709260        
  4      1.4943200              0.2136340        
  5      0.7134790              0.3740960        
  6      0.3249100              0.3691180        
  7      0.1398360              0.2324990        
D   7
  1     13.8248000              0.0014410        
  2      8.6358600             -0.0233020        
  3      5.3969500              0.0813920        
  4      1.4943200             -0.2826220        
  5      0.7134790             -0.4844350        
  6      0.3249100              0.0772300        
  7      0.1398360              0.6339580        
D   7
  1     13.8248000             -0.0008920        
  2      8.6358600              0.0318260        
  3      5.3969500             -0.1289560        
  4      1.4943200              0.6891180        
  5      0.7134790              0.2530110        
  6      0.3249100             -1.1068680        
  7      0.1398360              0.1625610        
D   1
  1      0.0555530              1.0000000        
D   1
  1      0.0221000              1.0000000        
F   1
  1      0.9339000              1.0000000        
F   1
  1      0.2939000              1.0000000        
F   1
  1      0.1068000              1.0000000        
G   1
  1      0.7368000              1.0000000        
G   1
  1      0.2876000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Os
data:
OSMIUM
S   9
  1     32.3055000              0.0197370        
  2     20.1934000             -0.1722810        
  3     12.6258000              0.5020590        
  4      7.8902100             -0.2729310        
  5      4.4618300             -0.6628560        
  6      1.2361300              0.8403110        
  7      0.5888300              0.5041200        
  8      0.1832610              0.0360460        
  9      0.0839720             -0.0077430        
S   9
  1     32.3055000             -0.0065050        
  2     20.1934000              0.0585150        
  3     12.6258000             -0.1762530        
  4      7.8902100              0.1041850        
  5      4.4618300              0.2405050        
  6      1.2361300             -0.4093240        
  7      0.5888300             -0.3607630        
  8      0.1832610              0.2734870        
  9      0.0839720              0.6639500        
S   9
  1     32.3055000              0.0032420        
  2     20.1934000              0.0321220        
  3     12.6258000             -0.1472230        
  4      7.8902100             -0.0521880        
  5      4.4618300              0.6858550        
  6      1.2361300             -1.4787110        
  7      0.5888300              0.1833530        
  8      0.1832610              2.2357940        
  9      0.0839720             -1.2321000        
S   9
  1     32.3055000              0.0069550        
  2     20.1934000              0.0417920        
  3     12.6258000             -0.2181670        
  4      7.8902100             -0.1049580        
  5      4.4618300              1.2105800        
  6      1.2361300             -4.1259100        
  7      0.5888300              4.5902800        
  8      0.1832610             -1.6062050        
  9      0.0839720             -0.9747310        
S   1
  1      0.0358740              1.0000000        
S   1
  1      0.0153000              1.0000000        
P   8
  1     19.5631000             -0.0147080        
  2     12.2451000              0.0813650        
  3      5.5534200             -0.2865920        
  4      1.4628400              0.5046710        
  5      0.7345370              0.4803480        
  6      0.3605750              0.1720070        
  7      0.1566910              0.0167790        
  8      0.0663330              0.0010290        
P   8
  1     19.5631000              0.0038110        
  2     12.2451000             -0.0227510        
  3      5.5534200              0.0856230        
  4      1.4628400             -0.1797460        
  5      0.7345370             -0.2015160        
  6      0.3605750             -0.0014850        
  7      0.1566910              0.3717870        
  8      0.0663330              0.5436820        
P   8
  1     19.5631000              0.0068020        
  2     12.2451000             -0.0412110        
  3      5.5534200              0.1569900        
  4      1.4628400             -0.3433910        
  5      0.7345370             -0.4303710        
  6      0.3605750              0.2960230        
  7      0.1566910              0.7536120        
  8      0.0663330              0.1966590        
P   8
  1     19.5631000              0.0137510        
  2     12.2451000             -0.0773820        
  3      5.5534200              0.2953390        
  4      1.4628400             -0.9653980        
  5      0.7345370             -0.2465530        
  6      0.3605750              1.7281840        
  7      0.1566910             -0.5259660        
  8      0.0663330             -0.6793560        
P   1
  1      0.0277460              1.0000000        
P   1
  1      0.0116000              1.0000000        
D   7
  1     14.6857000             -0.0002690        
  2      9.1712400              0.0164940        
  3      5.7299200             -0.0666740        
  4      1.5875600              0.2245470        
  5      0.7672690              0.3796600        
  6      0.3528390              0.3618810        
  7      0.1530360              0.2216830        
D   7
  1     14.6857000              0.0012700        
  2      9.1712400             -0.0225880        
  3      5.7299200              0.0838610        
  4      1.5875600             -0.3263310        
  5      0.7672690             -0.5066390        
  6      0.3528390              0.1706070        
  7      0.1530360              0.6360850        
D   7
  1     14.6857000              0.0026700        
  2      9.1712400             -0.0374650        
  3      5.7299200              0.1404650        
  4      1.5875600             -0.8231180        
  5      0.7672690             -0.0536040        
  6      0.3528390              1.1529670        
  7      0.1530360             -0.4177890        
D   1
  1      0.0612280              1.0000000        
D   1
  1      0.0245000              1.0000000        
F   1
  1      1.0510000              1.0000000        
F   1
  1      0.3372000              1.0000000        
F   1
  1      0.1251000              1.0000000        
G   1
  1      0.8435000              1.0000000        
G   1
  1      0.3405000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ir
data:
IRIDIUM
S   9
  1     34.2048000              0.0173300        
  2     21.3768000             -0.1532030        
  3     13.3624000              0.4419330        
  4      8.3483500             -0.1886920        
  5      4.7316300             -0.7122250        
  6      1.3078500              0.8529050        
  7      0.6243340              0.4997460        
  8      0.1938710              0.0352490        
  9      0.0879490             -0.0070780        
S   9
  1     34.2048000             -0.0060010        
  2     21.3768000              0.0538850        
  3     13.3624000             -0.1606020        
  4      8.3483500              0.0803950        
  5      4.7316300              0.2575940        
  6      1.3078500             -0.4237510        
  7      0.6243340             -0.3483540        
  8      0.1938710              0.2800310        
  9      0.0879490              0.6545570        
S   9
  1     34.2048000              0.0057000        
  2     21.3768000              0.0186860        
  3     13.3624000             -0.1098820        
  4      8.3483500             -0.1262300        
  5      4.7316300              0.7876390        
  6      1.3078500             -1.7027670        
  7      0.6243340              0.4383340        
  8      0.1938710              2.1004080        
  9      0.0879490             -1.2318660        
S   9
  1     34.2048000             -0.0001450        
  2     21.3768000              0.0001550        
  3     13.3624000              0.0004580        
  4      8.3483500              0.0027310        
  5      4.7316300             -0.0111600        
  6      1.3078500              0.0322630        
  7      0.6243340             -0.0309800        
  8      0.1938710             -0.0019260        
  9      0.0879490              0.0244470        
S   1
  1      0.0375390              1.0000000        
S   1
  1      0.0160000              1.0000000        
P   8
  1     20.7204000             -0.0132020        
  2     12.9677000              0.0739520        
  3      5.7222400             -0.2843120        
  4      1.5503800              0.5102230        
  5      0.7826600              0.4795020        
  6      0.3855150              0.1697720        
  7      0.1706090              0.0166680        
  8      0.0728290              0.0012420        
P   8
  1     20.7204000              0.0035200        
  2     12.9677000             -0.0215200        
  3      5.7222400              0.0890920        
  4      1.5503800             -0.1924180        
  5      0.7826600             -0.2089670        
  6      0.3855150              0.0046730        
  7      0.1706090              0.3828460        
  8      0.0728290              0.5399630        
P   8
  1     20.7204000              0.0068620        
  2     12.9677000             -0.0422290        
  3      5.7222400              0.1771470        
  4      1.5503800             -0.4201130        
  5      0.7826600             -0.4381970        
  6      0.3855150              0.4034530        
  7      0.1706090              0.7048150        
  8      0.0728290              0.1692730        
P   8
  1     20.7204000              0.0121460        
  2     12.9677000             -0.0723020        
  3      5.7222400              0.3121050        
  4      1.5503800             -1.1249840        
  5      0.7826600              0.0092840        
  6      0.3855150              1.6533010        
  7      0.1706090             -0.6527860        
  8      0.0728290             -0.6166420        
P   1
  1      0.0305710              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   7
  1     91.4125000              0.0000240        
  2      9.7301300              0.0152170        
  3      6.0771200             -0.0657240        
  4      1.6882000              0.2340050        
  5      0.8237860              0.3845350        
  6      0.3820680              0.3558490        
  7      0.1669650              0.2119760        
D   7
  1     91.4125000             -0.0000130        
  2      9.7301300             -0.0183130        
  3      6.0771200              0.0780220        
  4      1.6882000             -0.3254460        
  5      0.8237860             -0.4793950        
  6      0.3820680              0.1391480        
  7      0.1669650              0.5831340        
D   7
  1     91.4125000             -0.0000080        
  2      9.7301300              0.0306140        
  3      6.0771200             -0.1301790        
  4      1.6882000              0.7766970        
  5      0.8237860              0.1046450        
  6      0.3820680             -1.0602650        
  7      0.1669650              0.1697160        
D   1
  1      0.0672310              1.0000000        
D   1
  1      0.0271000              1.0000000        
F   1
  1      1.1759000              1.0000000        
F   1
  1      0.3847000              1.0000000        
F   1
  1      0.1452000              1.0000000        
G   1
  1      0.9577000              1.0000000        
G   1
  1      0.4000000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Pt
data:
PLATINUM
S   9
  1     36.0064000              0.0156030        
  2     22.4991000             -0.1396000        
  3     14.0609000              0.3994690        
  4      8.7816100             -0.1277440        
  5      4.9923800             -0.7514510        
  6      1.3838500              0.8633270        
  7      0.6616170              0.4975940        
  8      0.2048820              0.0347580        
  9      0.0922300             -0.0065890        
S   9
  1     36.0064000             -0.0056780        
  2     22.4991000              0.0507550        
  3     14.0609000             -0.1500300        
  4      8.7816100              0.0639820        
  5      4.9923800              0.2704110        
  6      1.3838500             -0.4346570        
  7      0.6616170             -0.3372900        
  8      0.2048820              0.2814460        
  9      0.0922300              0.6455790        
S   9
  1     36.0064000              0.0070370        
  2     22.4991000              0.0105250        
  3     14.0609000             -0.0854980        
  4      8.7816100             -0.1765590        
  5      4.9923800              0.8567070        
  6      1.3838500             -1.8442100        
  7      0.6616170              0.6011560        
  8      0.2048820              1.9822930        
  9      0.0922300             -1.1764800        
S   9
  1     36.0064000             -0.0114450        
  2     22.4991000              0.1220440        
  3     14.0609000             -0.3759060        
  4      8.7816100              0.0553880        
  5      4.9923800              1.1335870        
  6      1.3838500             -4.2149190        
  7      0.6616170              4.8759410        
  8      0.2048820             -2.1659360        
  9      0.0922300             -0.4268040        
S   1
  1      0.0392640              1.0000000        
S   1
  1      0.0167000              1.0000000        
P   8
  1     21.5986000             -0.0125150        
  2     13.5160000              0.0715700        
  3      5.9203700             -0.2872760        
  4      1.6412600              0.5154190        
  5      0.8311310              0.4804610        
  6      0.4084300              0.1679960        
  7      0.1754270              0.0158600        
  8      0.0726850              0.0007950        
P   8
  1     21.5986000              0.0029600        
  2     13.5160000             -0.0191100        
  3      5.9203700              0.0838980        
  4      1.6412600             -0.1830090        
  5      0.8311310             -0.1878840        
  6      0.4084300             -0.0017870        
  7      0.1754270              0.3606710        
  8      0.0726850              0.5449210        
P   8
  1     21.5986000              0.0067690        
  2     13.5160000             -0.0429400        
  3      5.9203700              0.1894550        
  4      1.6412600             -0.4606470        
  5      0.8311310             -0.4463350        
  6      0.4084300              0.4896840        
  7      0.1754270              0.6825880        
  8      0.0726850              0.1279470        
P   8
  1     21.5986000              0.0116510        
  2     13.5160000             -0.0715220        
  3      5.9203700              0.3259640        
  4      1.6412600             -1.2148310        
  5      0.8311310              0.1587270        
  6      0.4084300              1.5953330        
  7      0.1754270             -0.7779330        
  8      0.0726850             -0.5304420        
P   1
  1      0.0297610              1.0000000        
P   1
  1      0.0122000              1.0000000        
D   7
  1     72.7562000              0.0000520        
  2     10.4742000              0.0126260        
  3      6.2509000             -0.0632410        
  4      1.8018500              0.2396470        
  5      0.8884540              0.3876720        
  6      0.4156650              0.3517440        
  7      0.1830800              0.2052900        
D   7
  1     72.7562000             -0.0000370        
  2     10.4742000             -0.0157890        
  3      6.2509000              0.0782970        
  4      1.8018500             -0.3582960        
  5      0.8884540             -0.4793250        
  6      0.4156650              0.1884070        
  7      0.1830800              0.5781450        
D   7
  1     72.7562000             -0.0000260        
  2     10.4742000              0.0271890        
  3      6.2509000             -0.1307380        
  4      1.8018500              0.8378570        
  5      0.8884540              0.0073940        
  6      0.4156650             -1.0612590        
  7      0.1830800              0.2490050        
D   1
  1      0.0742330              1.0000000        
D   1
  1      0.0301000              1.0000000        
F   1
  1      1.3040000              1.0000000        
F   1
  1      0.4337000              1.0000000        
F   1
  1      0.1662000              1.0000000        
G   1
  1      1.0772000              1.0000000        
G   1
  1      0.4643000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Au
data:
GOLD
S   9
  1     36.0126000              0.0190290        
  2     22.5645000             -0.1678000        
  3     14.1620000              0.4966770        
  4      8.8548700             -0.2662560        
  5      5.0607200             -0.6998980        
  6      1.4740500              0.8731080        
  7      0.7049130              0.5025820        
  8      0.2177870              0.0321960        
  9      0.0974080             -0.0055030        
S   9
  1     36.0126000             -0.0067770        
  2     22.5645000              0.0600080        
  3     14.1620000             -0.1833280        
  4      8.8548700              0.1147190        
  5      5.0607200              0.2488220        
  6      1.4740500             -0.4376710        
  7      0.7049130             -0.3311080        
  8      0.2177870              0.2741810        
  9      0.0974080              0.6377380        
S   9
  1     36.0126000              0.0039090        
  2     22.5645000              0.0337600        
  3     14.1620000             -0.1660600        
  4      8.8548700             -0.0517890        
  5      5.0607200              0.7950230        
  6      1.4740500             -1.8059270        
  7      0.7049130              0.5612390        
  8      0.2177870              1.8784270        
  9      0.0974080             -0.9692290        
S   9
  1     36.0126000             -0.0119140        
  2     22.5645000              0.1330690        
  3     14.1620000             -0.4342870        
  4      8.8548700              0.1701570        
  5      5.0607200              1.0647560        
  6      1.4740500             -4.0055360        
  7      0.7049130              4.4028320        
  8      0.2177870             -1.4321630        
  9      0.0974080             -1.1432550        
S   1
  1      0.0412140              1.0000000        
S   1
  1      0.0174000              1.0000000        
P   8
  1     21.5954000             -0.0132180        
  2     13.5145000              0.0801960        
  3      6.2551400             -0.2966860        
  4      1.7181400              0.5289590        
  5      0.8694390              0.4788890        
  6      0.4267590              0.1576200        
  7      0.1842970              0.0138970        
  8      0.0763790              0.0008350        
P   8
  1     21.5954000              0.0030800        
  2     13.5145000             -0.0214060        
  3      6.2551400              0.0867760        
  4      1.7181400             -0.1897740        
  5      0.8694390             -0.1858350        
  6      0.4267590              0.0047800        
  7      0.1842970              0.3638360        
  8      0.0763790              0.5417640        
P   8
  1     21.5954000              0.0070860        
  2     13.5145000             -0.0474930        
  3      6.2551400              0.1918930        
  4      1.7181400             -0.4636370        
  5      0.8694390             -0.4351380        
  6      0.4267590              0.4944030        
  7      0.1842970              0.6751140        
  8      0.0763790              0.1315360        
P   8
  1     21.5954000              0.0129200        
  2     13.5145000             -0.0820290        
  3      6.2551400              0.3386190        
  4      1.7181400             -1.2549920        
  5      0.8694390              0.2258130        
  6      0.4267590              1.5758790        
  7      0.1842970             -0.8043540        
  8      0.0763790             -0.5073130        
P   1
  1      0.0312200              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   7
  1     87.0208000              0.0000440        
  2     11.0668000              0.0142880        
  3      6.6604700             -0.0688760        
  4      1.9469600              0.2395590        
  5      0.9847060              0.3873230        
  6      0.4746550              0.3487560        
  7      0.2165580              0.1984920        
D   7
  1     87.0208000             -0.0000310        
  2     11.0668000             -0.0199590        
  3      6.6604700              0.0953200        
  4      1.9469600             -0.4213430        
  5      0.9847060             -0.5069330        
  6      0.4746550              0.2854660        
  7      0.2165580              0.5825650        
D   7
  1     87.0208000             -0.0000440        
  2     11.0668000              0.0350830        
  3      6.6604700             -0.1619420        
  4      1.9469600              1.0421550        
  5      0.9847060             -0.2648650        
  6      0.4746550             -1.1163050        
  7      0.2165580              0.5457620        
D   1
  1      0.0914720              1.0000000        
D   1
  1      0.0386000              1.0000000        
F   1
  1      1.4385000              1.0000000        
F   1
  1      0.4878000              1.0000000        
F   1
  1      0.1926000              1.0000000        
G   1
  1      1.2257000              1.0000000        
G   1
  1      0.5507000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Hg
data:
MERCURY
S   9
  1     98.3058000              0.0010330        
  2     19.6406000             -0.1063820        
  3     12.3397000              0.5320730        
  4      7.7478200             -0.5223240        
  5      4.8629100             -0.5373210        
  6      1.5771900              0.8847880        
  7      0.7529260              0.5138340        
  8      0.2351120              0.0294070        
  9      0.1039680             -0.0061590        
S   9
  1     98.3058000             -0.0003560        
  2     19.6406000              0.0379090        
  3     12.3397000             -0.2000130        
  4      7.7478200              0.2240930        
  5      4.8629100              0.1793740        
  6      1.5771900             -0.4508330        
  7      0.7529260             -0.3390550        
  8      0.2351120              0.2934140        
  9      0.1039680              0.6446280        
S   9
  1     98.3058000             -0.0002170        
  2     19.6406000             -0.0440670        
  3     12.3397000              0.2876950        
  4      7.7478200             -0.1894760        
  5      4.8629100             -0.7807040        
  6      1.5771900              2.1756040        
  7      0.7529260             -0.8865840        
  8      0.2351120             -1.8749170        
  9      0.1039680              1.2470530        
S   9
  1     98.3058000             -0.0020930        
  2     19.6406000              0.1557830        
  3     12.3397000             -0.7951410        
  4      7.7478200              0.9970540        
  5      4.8629100              0.5928610        
  6      1.5771900             -4.4071970        
  7      0.7529260              5.2898370        
  8      0.2351120             -2.8866330        
  9      0.1039680              0.3158740        
S   1
  1      0.0434000              1.0000000        
S   1
  1      0.0181000              1.0000000        
P   8
  1     21.4065000             -0.0128370        
  2     13.3929000              0.0865310        
  3      6.5102100             -0.3080410        
  4      1.8222200              0.5327940        
  5      0.9265070              0.4822070        
  6      0.4550820              0.1546950        
  7      0.1927600              0.0132010        
  8      0.0786890              0.0005850        
P   8
  1     21.4065000              0.0026690        
  2     13.3929000             -0.0218770        
  3      6.5102100              0.0865390        
  4      1.8222200             -0.1847680        
  5      0.9265070             -0.1773950        
  6      0.4550820              0.0009770        
  7      0.1927600              0.3536030        
  8      0.0786890              0.5435820        
P   8
  1     21.4065000              0.0061400        
  2     13.3929000             -0.0480560        
  3      6.5102100              0.1891060        
  4      1.8222200             -0.4381190        
  5      0.9265070             -0.4321930        
  6      0.4550820              0.4570570        
  7      0.1927600              0.6953570        
  8      0.0786890              0.1420160        
P   8
  1     21.4065000              0.0130140        
  2     13.3929000             -0.0890970        
  3      6.5102100              0.3480200        
  4      1.8222200             -1.2184470        
  5      0.9265070              0.1232280        
  6      0.4550820              1.6284380        
  7      0.1927600             -0.7824510        
  8      0.0786890             -0.5112540        
P   1
  1      0.0317290              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   7
  1     86.9881000              0.0000580        
  2     11.9913000              0.0127790        
  3      6.9364800             -0.0689630        
  4      2.0864100              0.2415630        
  5      1.0766400              0.3878580        
  6      0.5311530              0.3454410        
  7      0.2488080              0.1915090        
D   7
  1     86.9881000              0.0000500        
  2     11.9913000              0.0192460        
  3      6.9364800             -0.1034870        
  4      2.0864100              0.4847690        
  5      1.0766400              0.5069510        
  6      0.5311530             -0.3625720        
  7      0.2488080             -0.5729800        
D   7
  1     86.9881000             -0.0000430        
  2     11.9913000              0.0337600        
  3      6.9364800             -0.1746100        
  4      2.0864100              1.2017020        
  5      1.0766400             -0.5030930        
  6      0.5311530             -1.1299990        
  7      0.2488080              0.7749310        
D   1
  1      0.1081700              1.0000000        
D   1
  1      0.0470000              1.0000000        
F   1
  1      1.5814000              1.0000000        
F   1
  1      0.5423000              1.0000000        
F   1
  1      0.2182000              1.0000000        
G   1
  1      1.3737000              1.0000000        
G   1
  1      0.6361000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Tl
data:
THALLIUM
S   9
  1    562.3040000              0.0001980        
  2     35.2498000              0.0221110        
  3     22.0333000             -0.1771730        
  4     13.7732000              0.5247630        
  5      6.6070300             -0.8455960        
  6      4.1305000             -0.1972920        
  7      1.6915600              0.9069980        
  8      0.8210210              0.5217240        
  9      0.0533000              0.0011640        
S   9
  1    562.3040000             -0.0000840        
  2     35.2498000             -0.0071210        
  3     22.0333000              0.0624260        
  4     13.7732000             -0.1989080        
  5      6.6070300              0.3623280        
  6      4.1305000              0.0590030        
  7      1.6915600             -0.4951260        
  8      0.8210210             -0.4018200        
  9      0.0533000              0.2582840        
S   1
  1      0.2773460              1.0000000        
S   1
  1      0.1267730              1.0000000        
S   1
  1      0.0572000              1.0000000        
S   1
  1      0.0183000              1.0000000        
P   9
  1     18.7574000             -0.0166780        
  2     11.7331000              0.1512460        
  3      6.9769600             -0.3814160        
  4      1.9274400              0.5503950        
  5      0.9808470              0.4895040        
  6      0.4788090              0.1406890        
  7      0.1908570              0.0089600        
  8      0.0751060              0.0001670        
  9      0.0295540              0.0000910        
P   9
  1     18.7574000              0.0026180        
  2     11.7331000             -0.0328790        
  3      6.9769600              0.0924060        
  4      1.9274400             -0.1666270        
  5      0.9808470             -0.1563700        
  6      0.4788090             -0.0023450        
  7      0.1908570              0.3309880        
  8      0.0751060              0.5452360        
  9      0.0295540              0.2687240        
P   1
  1      0.2939000              1.0000000        
P   1
  1      0.0434000              1.0000000        
P   1
  1      0.0122000              1.0000000        
D   6
  1     64.9978000              0.0001920        
  2     10.5732000              0.0213830        
  3      6.6121700             -0.0882380        
  4      2.1735300              0.2702850        
  5      1.1010200              0.4265460        
  6      0.5290980              0.3444120        
D   1
  1      0.2386600              1.0000000        
D   1
  1      0.0908000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.2918000              1.0000000        
F   1
  1      0.0990000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Pb
data:
LEAD
S   9
  1    544.6750000              0.0003190        
  2     36.5128000              0.0242140        
  3     22.7761000             -0.1854660        
  4     14.2262000              0.5460900        
  5      6.8950000             -0.8705150        
  6      4.3096900             -0.2035780        
  7      1.8008500              0.9089240        
  8      0.8907680              0.5320000        
  9      0.0632880              0.0010520        
S   9
  1    544.6750000             -0.0001460        
  2     36.5128000             -0.0083480        
  3     22.7761000              0.0694480        
  4     14.2262000             -0.2207290        
  5      6.8950000              0.4003450        
  6      4.3096900              0.0629640        
  7      1.8008500             -0.5315590        
  8      0.8907680             -0.4479460        
  9      0.0632880              0.2440990        
S   1
  1      0.3189680              1.0000000        
S   1
  1      0.1483520              1.0000000        
S   1
  1      0.0681000              1.0000000        
S   1
  1      0.0251000              1.0000000        
P   9
  1     18.6489000             -0.0178000        
  2     11.6679000              0.1793570        
  3      7.2934900             -0.4167250        
  4      2.0284900              0.5595180        
  5      1.0409700              0.4925180        
  6      0.5141900              0.1323700        
  7      0.2286510              0.0080590        
  8      0.0958280              0.0007990        
  9      0.0392290             -0.0000270        
P   9
  1     18.6489000              0.0030930        
  2     11.6679000             -0.0453160        
  3      7.2934900              0.1173920        
  4      2.0284900             -0.2007620        
  5      1.0409700             -0.1848820        
  6      0.5141900             -0.0054120        
  7      0.2286510              0.3698780        
  8      0.0958280              0.5468910        
  9      0.0392290              0.2294930        
P   1
  1      0.3696000              1.0000000        
P   1
  1      0.0586000              1.0000000        
P   1
  1      0.0208000              1.0000000        
D   6
  1     61.3970000              0.0003250        
  2     12.3735000              0.0132110        
  3      6.9268600             -0.0727810        
  4      2.3308700              0.2697210        
  5      1.2101900              0.4265860        
  6      0.6005160              0.3381390        
D   1
  1      0.2807870              1.0000000        
D   1
  1      0.1093000              1.0000000        
D   1
  1      0.0404000              1.0000000        
F   1
  1      0.2900000              1.0000000        
F   1
  1      0.1116000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   9
  1    798.6330000              0.0003890        
  2     95.0023000              0.0021040        
  3     21.2520000             -0.1296810        
  4     13.2919000              0.6651190        
  5      8.3121000             -0.7740220        
  6      5.1947600             -0.4577470        
  7      1.9097200              0.9010720        
  8      0.9622710              0.5445340        
  9      0.0732650              0.0010360        
S   9
  1    798.6330000             -0.0001910        
  2     95.0023000             -0.0008850        
  3     21.2520000              0.0550530        
  4     13.2919000             -0.3024060        
  5      8.3121000              0.3964830        
  6      5.1947600              0.1783230        
  7      1.9097200             -0.5704930        
  8      0.9622710             -0.4792590        
  9      0.0732650              0.2315980        
S   1
  1      0.3560260              1.0000000        
S   1
  1      0.1683270              1.0000000        
S   1
  1      0.0784000              1.0000000        
S   1
  1      0.0297000              1.0000000        
P   9
  1     19.2259000             -0.0161520        
  2     12.0378000              0.1760310        
  3      7.5362100             -0.4201030        
  4      2.1608400              0.5526740        
  5      1.1303600              0.4995620        
  6      0.5667780              0.1344950        
  7      0.2716080              0.0080460        
  8      0.1177690              0.0010310        
  9      0.0493040             -0.0001620        
P   9
  1     19.2259000              0.0027330        
  2     12.0378000             -0.0488430        
  3      7.5362100              0.1318400        
  4      2.1608400             -0.2252710        
  5      1.1303600             -0.2078760        
  6      0.5667780             -0.0155850        
  7      0.2716080              0.3938490        
  8      0.1177690              0.5508800        
  9      0.0493040              0.2111500        
P   1
  1      0.4469000              1.0000000        
P   1
  1      0.0743000              1.0000000        
P   1
  1      0.0276000              1.0000000        
D   6
  1     65.0224000              0.0003950        
  2     13.6908000              0.0112010        
  3      7.0959100             -0.0723170        
  4      2.5209000              0.2632860        
  5      1.3406600              0.4273250        
  6      0.6825580              0.3375340        
D   1
  1      0.3277140              1.0000000        
D   1
  1      0.1306000              1.0000000        
D   1
  1      0.0488000              1.0000000        
F   1
  1      0.3164000              1.0000000        
F   1
  1      0.1188000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   9
  1   2284.7600000              0.0002360        
  2    345.7740000              0.0011910        
  3     40.9204000              0.0268960        
  4     25.5771000             -0.1699090        
  5     15.9942000              0.4554490        
  6      6.7938300             -0.9748070        
  7      1.9270900              0.9172590        
  8      0.9970320              0.5026630        
  9      0.0735360              0.0013620        
S   9
  1   2284.7600000              0.0001140        
  2    345.7740000              0.0006790        
  3     40.9204000              0.0074840        
  4     25.5771000             -0.0578310        
  5     15.9942000              0.1842770        
  6      6.7938300             -0.4716170        
  7      1.9270900              0.6656440        
  8      0.9970320              0.4192020        
  9      0.0735360             -0.1458700        
S   1
  1      0.3403500              1.0000000        
S   1
  1      0.1617240              1.0000000        
S   1
  1      0.0875000              1.0000000        
S   1
  1      0.0339000              1.0000000        
P   9
  1     19.7714000             -0.0144910        
  2     12.3921000              0.1732690        
  3      7.7740700             -0.4241670        
  4      2.2913100              0.5524090        
  5      1.2059400              0.5120890        
  6      0.5946110              0.1278370        
  7      0.2986450              0.0052540        
  8      0.1297420              0.0020100        
  9      0.0539350             -0.0001320        
P   9
  1     19.7714000              0.0021050        
  2     12.3921000             -0.0508490        
  3      7.7740700              0.1432890        
  4      2.2913100             -0.2470410        
  5      1.2059400             -0.2322350        
  6      0.5946110              0.0071000        
  7      0.2986450              0.4246290        
  8      0.1297420              0.5319740        
  9      0.0539350              0.1972940        
P   1
  1      0.4953000              1.0000000        
P   1
  1      0.0797000              1.0000000        
P   1
  1      0.0310000              1.0000000        
D   6
  1     67.9636000              0.0004990        
  2     14.9883000              0.0101500        
  3      7.2607400             -0.0719050        
  4      2.7107000              0.2594360        
  5      1.4638300              0.4323430        
  6      0.7558280              0.3375810        
D   1
  1      0.3671760              1.0000000        
D   1
  1      0.1484000              1.0000000        
D   1
  1      0.0578000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.1322000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   9
  1   2405.3100000              0.0001700        
  2    365.5650000              0.0008190        
  3     41.9062000              0.0224870        
  4     26.2026000             -0.1576560        
  5     16.3915000              0.4528990        
  6      7.0834100             -0.9917430        
  7      2.0331300              0.9225040        
  8      1.0700700              0.5052420        
  9      0.0818330              0.0013480        
S   9
  1   2405.3100000             -0.0000820        
  2    365.5650000             -0.0004930        
  3     41.9062000             -0.0054020        
  4     26.2026000              0.0531700        
  5     16.3915000             -0.1887440        
  6      7.0834100              0.4997270        
  7      2.0331300             -0.7071970        
  8      1.0700700             -0.4337520        
  9      0.0818330              0.1365100        
S   1
  1      0.3760710              1.0000000        
S   1
  1      0.1794470              1.0000000        
S   1
  1      0.0966000              1.0000000        
S   1
  1      0.0384000              1.0000000        
P   9
  1     20.2970000             -0.0118100        
  2     12.7312000              0.1669480        
  3      8.0003400             -0.4251720        
  4      2.4479600              0.5371220        
  5      1.3108200              0.5267320        
  6      0.6458650              0.1326450        
  7      0.3337580              0.0045660        
  8      0.1461660              0.0028370        
  9      0.0608710             -0.0000470        
P   9
  1     20.2970000              0.0010180        
  2     12.7312000             -0.0512500        
  3      8.0003400              0.1534750        
  4      2.4479600             -0.2616100        
  5      1.3108200             -0.2555450        
  6      0.6458650              0.0133140        
  7      0.3337580              0.4434770        
  8      0.1461660              0.5252820        
  9      0.0608710              0.1879620        
P   1
  1      0.5686000              1.0000000        
P   1
  1      0.0929000              1.0000000        
P   1
  1      0.0368000              1.0000000        
D   6
  1     70.9454000              0.0006200        
  2     16.2560000              0.0096710        
  3      7.3603200             -0.0734590        
  4      2.9233600              0.2525880        
  5      1.5991200              0.4379470        
  6      0.8340870              0.3400530        
D   1
  1      0.4081410              1.0000000        
D   1
  1      0.1683000              1.0000000        
D   1
  1      0.0686000              1.0000000        
F   1
  1      0.3719000              1.0000000        
F   1
  1      0.1703000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   9
  1   3407.2000000              0.0002290        
  2    516.4830000              0.0012550        
  3     97.0281000              0.0036740        
  4     26.4655000             -0.0885740        
  5     16.5631000              0.3733190        
  6      7.2510600             -0.9622370        
  7      2.1719300              0.8751670        
  8      1.1801200              0.5520340        
  9      0.0909250              0.0020960        
S   9
  1   3407.2000000             -0.0001250        
  2    516.4830000             -0.0007910        
  3     97.0281000             -0.0013530        
  4     26.4655000              0.0328160        
  5     16.5631000             -0.1662340        
  6      7.2510600              0.5134720        
  7      2.1719300             -0.7293370        
  8      1.1801200             -0.4533150        
  9      0.0909250              0.1289040        
S   1
  1      0.4014950              1.0000000        
S   1
  1      0.1948420              1.0000000        
S   1
  1      0.1060000              1.0000000        
S   1
  1      0.0429000              1.0000000        
P   9
  1     20.7239000             -0.0087120        
  2     12.9996000              0.1615290        
  3      8.1734800             -0.4339190        
  4      2.7474200              0.4447680        
  5      1.5639000              0.5621850        
  6      0.8110200              0.1912550        
  7      0.4009630              0.0133510        
  8      0.1737640              0.0015260        
  9      0.0715760             -0.0001560        
P   9
  1     20.7239000             -0.0002330        
  2     12.9996000             -0.0514810        
  3      8.1734800              0.1655770        
  4      2.7474200             -0.2323410        
  5      1.5639000             -0.2874580        
  6      0.8110200             -0.0486090        
  7      0.4009630              0.4450460        
  8      0.1737640              0.5480680        
  9      0.0715760              0.1999230        
P   1
  1      0.6463000              1.0000000        
P   1
  1      0.1083000              1.0000000        
P   1
  1      0.0426000              1.0000000        
D   6
  1     75.4318000              0.0007340        
  2     18.0171000              0.0088650        
  3      7.3516500             -0.0771450        
  4      3.2521200              0.2250370        
  5      1.8098900              0.4386570        
  6      0.9565500              0.3545790        
D   1
  1      0.4747500              1.0000000        
D   1
  1      0.1960000              1.0000000        
D   1
  1      0.0794000              1.0000000        
F   1
  1      0.4303000              1.0000000        
F   1
  1      0.2084000              1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Cu
data:
COPPER
S   1
  1      0.33151300000E-01            1.0000000        
P   1
  1      0.40345600000E-01            1.0000000        
D   1
  1      0.73775200000E-01            1.0000000        
F   1
  1      0.12162900000          1.0000000        
G   1
  1      0.24235800000          1.0000000        
H   1
  1      0.91667700000          1.0000000        
I   1
  1      2.2370900000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Zn
data:
ZINC
S   1
  1      0.39118600000E-01            1.0000000        
P   1
  1      0.47607800000E-01            1.0000000        
D   1
  1      0.87054700000E-01            1.0000000        
F   1
  1      0.14352200000          1.0000000        
G   1
  1      0.28598300000          1.0000000        
H   1
  1      1.0816800000           1.0000000        
I   1
  1      2.6397700000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Ga
data:
GALLIUM
S   1
  1      0.33307600000E-01            1.0000000        
P   1
  1      0.39524800000E-01            1.0000000        
D   1
  1      0.50834400000E-01            1.0000000        
F   1
  1      0.69148300000E-01            1.0000000        
G   1
  1      0.15617800000          1.0000000        
H   1
  1      0.37206600000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Ge
data:
GERMANIUM
S   1
  1      0.39687800000E-01            1.0000000        
P   1
  1      0.63912700000E-01            1.0000000        
D   1
  1      0.55001800000E-01            1.0000000        
F   1
  1      0.10388500000          1.0000000        
G   1
  1      0.21894700000          1.0000000        
H   1
  1      0.44190700000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: As
data:
ARSENIC
S   1
  1      0.46683800000E-01            1.0000000        
P   1
  1      0.80098500000E-01            1.0000000        
D   1
  1      0.62289400000E-01            1.0000000        
F   1
  1      0.12559200000          1.0000000        
G   1
  1      0.25445000000          1.0000000        
H   1
  1      0.56559800000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Se
data:
SELENIUM
S   1
  1      0.59197300000E-01            1.0000000        
P   1
  1      0.10119200000          1.0000000        
D   1
  1      0.81167300000E-01            1.0000000        
F   1
  1      0.16177100000          1.0000000        
G   1
  1      0.30804900000          1.0000000        
H   1
  1      0.60683200000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Br
data:
BROMINE
S   1
  1      0.77043800000E-01            1.0000000        
P   1
  1      0.12512300000          1.0000000        
D   1
  1      0.10825500000          1.0000000        
F   1
  1      0.20178700000          1.0000000        
G   1
  1      0.40765700000          1.0000000        
H   1
  1      0.75465300000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Kr
data:
KRYPTON
S   1
  1      0.12418100000          1.0000000        
P   1
  1      0.17379400000          1.0000000        
D   1
  1      0.16213800000          1.0000000        
F   1
  1      0.25310200000          1.0000000        
G   1
  1      0.51275400000          1.0000000        
H   1
  1      1.3398000000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Ag
data:
SILVER
S   1
  1      0.15353000000E-01            1.0000000        
P   1
  1      0.20861200000E-01            1.0000000        
D   1
  1      0.35359100000E-01            1.0000000        
F   1
  1      0.57147400000E-01            1.0000000        
G   1
  1      0.16825000000          1.0000000        
H   1
  1      0.63331600000          1.0000000        
I   1
  1      1.1927000000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Cd
data:
CADMIUM
S   1
  1      0.18189300000E-01            1.0000000        
P   1
  1      0.24701000000E-01            1.0000000        
D   1
  1      0.41814300000E-01            1.0000000        
F   1
  1      0.69621800000E-01            1.0000000        
G   1
  1      0.21643100000          1.0000000        
H   1
  1      0.74053900000          1.0000000        
I   1
  1      1.3708100000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: In
data:
INDIUM
S   1
  1      0.27056100000E-01            1.0000000        
P   1
  1      0.34351900000E-01            1.0000000        
D   1
  1      0.48756600000E-01            1.0000000        
F   1
  1      0.60184400000E-01            1.0000000        
G   1
  1      0.13752900000          1.0000000        
H   1
  1      0.30048800000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Sn
data:
TIN
S   1
  1      0.44235900000E-01            1.0000000        
P   1
  1      0.54253100000E-01            1.0000000        
D   1
  1      0.64029400000E-01            1.0000000        
F   1
  1      0.87230700000E-01            1.0000000        
G   1
  1      0.17785500000          1.0000000        
H   1
  1      0.33846100000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Sb
data:
ANTIMONY
S   1
  1      0.42975100000E-01            1.0000000        
P   1
  1      0.67991200000E-01            1.0000000        
D   1
  1      0.56373300000E-01            1.0000000        
F   1
  1      0.10173500000          1.0000000        
G   1
  1      0.20439000000          1.0000000        
H   1
  1      0.40212400000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Te
data:
TELLURIUM
S   1
  1      0.52185300000E-01            1.0000000        
P   1
  1      0.83717200000E-01            1.0000000        
D   1
  1      0.70192200000E-01            1.0000000        
F   1
  1      0.12803800000          1.0000000        
G   1
  1      0.24050500000          1.0000000        
H   1
  1      0.43054000000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: I
data:
IODINE
S   1
  1      0.64947400000E-01            1.0000000        
P   1
  1      0.10008300000          1.0000000        
D   1
  1      0.85978200000E-01            1.0000000        
F   1
  1      0.15788100000          1.0000000        
G   1
  1      0.31088100000          1.0000000        
H   1
  1      0.49419800000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Xe
data:
XENON
S   1
  1      0.98226000000E-01            1.0000000        
P   1
  1      0.13837400000          1.0000000        
D   1
  1      0.11232200000          1.0000000        
F   1
  1      0.21242300000          1.0000000        
G   1
  1      0.40260400000          1.0000000        
H   1
  1      0.90671200000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Au
data:
GOLD
S   1
  1      0.12318400000E-01            1.0000000        
P   1
  1      0.16780500000E-01            1.0000000        
D   1
  1      0.28362800000E-01            1.0000000        
F   1
  1      0.47117000000E-01            1.0000000        
G   1
  1      0.13160900000          1.0000000        
H   1
  1      0.42198200000          1.0000000        
I   1
  1      0.91962100000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.14703200000E-01            1.0000000        
P   1
  1      0.19851000000E-01            1.0000000        
D   1
  1      0.33553100000E-01            1.0000000        
F   1
  1      0.57025400000E-01            1.0000000        
G   1
  1      0.16693800000          1.0000000        
H   1
  1      0.52088700000          1.0000000        
I   1
  1      1.0828200000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Tl
data:
THALLIUM
S   1
  1      0.17968300000E-01            1.0000000        
P   1
  1      0.33731700000E-01            1.0000000        
D   1
  1      0.31091900000E-01            1.0000000        
F   1
  1      0.55115600000E-01            1.0000000        
G   1
  1      0.15401300000          1.0000000        
H   1
  1      0.34310900000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Pb
data:
LEAD
S   1
  1      0.34564700000E-01            1.0000000        
P   1
  1      0.53317900000E-01            1.0000000        
D   1
  1      0.50969000000E-01            1.0000000        
F   1
  1      0.80199900000E-01            1.0000000        
G   1
  1      0.18373300000          1.0000000        
H   1
  1      0.36039000000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Bi
data:
BISMUTH
S   1
  1      0.43674000000E-01            1.0000000        
P   1
  1      0.66843600000E-01            1.0000000        
D   1
  1      0.56668500000E-01            1.0000000        
F   1
  1      0.94403400000E-01            1.0000000        
G   1
  1      0.19668200000          1.0000000        
H   1
  1      0.41124000000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Po
data:
POLONIUM
S   1
  1      0.52182700000E-01            1.0000000        
P   1
  1      0.79377400000E-01            1.0000000        
D   1
  1      0.67926500000E-01            1.0000000        
F   1
  1      0.11367200000          1.0000000        
G   1
  1      0.22235200000          1.0000000        
H   1
  1      0.45412500000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: At
data:
ASTATINE
S   1
  1      0.65300100000E-01            1.0000000        
P   1
  1      0.93760200000E-01            1.0000000        
D   1
  1      0.84902600000E-01            1.0000000        
F   1
  1      0.13768800000          1.0000000        
G   1
  1      0.28209300000          1.0000000        
H   1
  1      0.51295300000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Rn
data:
RADON
S   1
  1      0.96410200000E-01            1.0000000        
P   1
  1      0.12399200000          1.0000000        
D   1
  1      0.99273100000E-01            1.0000000        
F   1
  1      0.18605600000          1.0000000        
G   1
  1      0.36197300000          1.0000000        
H   1
  1      0.60393000000          1.0000000        


name: aug-cc-pVTZ-PP-new
description: N/A
elt: I
data:
IODINE
S   9
  1      5.546500E+03           1.560000E-04     
  2      8.382140E+02           9.860000E-04     
  3      1.821870E+02           2.792000E-03     
  4      3.121230E+01          -4.325100E-02     
  5      1.953140E+01           2.341340E-01     
  6      8.240990E+00          -7.509430E-01     
  7      2.194550E+00           8.829680E-01     
  8      1.109110E+00           4.620610E-01     
  9      8.106100E-02           1.102000E-03     
S   9
  1      5.546500E+03          -7.300000E-05     
  2      8.382140E+02          -5.080000E-04     
  3      1.821870E+02          -1.158000E-03     
  4      3.121230E+01           1.219300E-02     
  5      1.953140E+01          -8.785400E-02     
  6      8.240990E+00           3.382000E-01     
  7      2.194550E+00          -5.765500E-01     
  8      1.109110E+00          -4.092980E-01     
  9      8.106100E-02           1.432310E-01     
S   1
  1      3.746410E-01           1.0000000        
S   1
  1      1.770800E-01           1.0000000        
S   1
  1      1.001000E-01           1.0000000        
S   1
  1      4.120000E-02           1.0000000        
P   9
  1      1.889880E+02           5.850000E-04     
  2      2.128680E+01           3.692300E-02     
  3      1.003960E+01          -2.353240E-01     
  4      3.451800E+00           3.414830E-01     
  5      1.974560E+00           5.347880E-01     
  6      1.024200E+00           2.651410E-01     
  7      4.494370E-01           2.578700E-02     
  8      1.866480E-01           5.220000E-04     
  9      7.348100E-02           6.060000E-04     
P   9
  1      1.889880E+02          -2.560000E-04     
  2      2.128680E+01          -1.168200E-02     
  3      1.003960E+01           8.319200E-02     
  4      3.451800E+00          -1.569700E-01     
  5      1.974560E+00          -2.245180E-01     
  6      1.024200E+00          -1.144510E-01     
  7      4.494370E-01           3.753560E-01     
  8      1.866480E-01           5.751360E-01     
  9      7.348100E-02           2.459170E-01     
P   1
  1      5.981000E-01           1.0000000        
P   1
  1      9.618000E-02           1.0000000        
P   1
  1      3.590000E-02           1.0000000        
D   7
  1      1.326620E+02           5.720000E-04     
  2      3.760540E+01           4.402000E-03     
  3      1.038910E+01          -4.092200E-02     
  4      6.490170E+00           9.966100E-02     
  5      3.454510E+00           3.226630E-01     
  6      1.844130E+00           4.003430E-01     
  7      9.624780E-01           2.683060E-01     
D   1
  1      4.728530E-01           1.0000000        
D   1
  1      1.932000E-01           1.0000000        
D   1
  1      7.820000E-02           1.0000000        
F   1
  1      4.064000E-01           1.0000000        
F   1
  1      1.848000E-01           1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Cu
data:
COPPER
S   1
  1     15.7721900              1.0000000        
S   1
  1     10.5744700              1.0000000        
S   1
  1      4.1727000              1.0000000        
S   1
  1      2.6091000              1.0000000        
S   1
  1      1.7545010              1.0000000        
S   1
  1      0.9524060              1.0000000        
S   1
  1      0.3594860              1.0000000        
P   1
  1     24.6157200              1.0000000        
P   1
  1      8.4652000              1.0000000        
P   1
  1      4.8475730              1.0000000        
P   1
  1      2.1782000              1.0000000        
P   1
  1      1.4537210              1.0000000        
P   1
  1      0.2864400              1.0000000        
D   1
  1     19.2536200              1.0000000        
D   1
  1     10.6972500              1.0000000        
D   1
  1      5.9415000              1.0000000        
D   1
  1      3.3806000              1.0000000        
D   1
  1      1.1746550              1.0000000        
D   1
  1      0.4592230              1.0000000        
F   1
  1     40.5299000              1.0000000        
F   1
  1     12.2237300              1.0000000        
F   1
  1      2.8804730              1.0000000        
F   1
  1      1.9227800              1.0000000        
F   1
  1      0.6804820              1.0000000        
G   1
  1     19.5433400              1.0000000        
G   1
  1      8.6183000              1.0000000        
G   1
  1      5.2316340              1.0000000        
G   1
  1      2.1983820              1.0000000        
G   1
  1      0.6200380              1.0000000        
H   1
  1     15.8827700              1.0000000        
H   1
  1      6.7627560              1.0000000        
H   1
  1      2.8311860              1.0000000        
H   1
  1      1.1309880              1.0000000        
I   1
  1      5.4682390              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Zn
data:
ZINC
S   1
  1     18.0156600              1.0000000        
S   1
  1     12.0880700              1.0000000        
S   1
  1      4.5786000              1.0000000        
S   1
  1      2.8641000              1.0000000        
S   1
  1      1.9284740              1.0000000        
S   1
  1      1.0441780              1.0000000        
S   1
  1      0.4211660              1.0000000        
P   1
  1     56.6060600              1.0000000        
P   1
  1     14.6815800              1.0000000        
P   1
  1      9.2192000              1.0000000        
P   1
  1      5.2228110              1.0000000        
P   1
  1      2.3491000              1.0000000        
P   1
  1      1.1160830              1.0000000        
D   1
  1     23.7157300              1.0000000        
D   1
  1     11.3172500              1.0000000        
D   1
  1      6.6860000              1.0000000        
D   1
  1      4.0411000              1.0000000        
D   1
  1      2.6941890              1.0000000        
D   1
  1      0.6540230              1.0000000        
F   1
  1     35.2811000              1.0000000        
F   1
  1     13.1821700              1.0000000        
F   1
  1      8.7979740              1.0000000        
F   1
  1      2.9859060              1.0000000        
F   1
  1      0.8090970              1.0000000        
G   1
  1     23.8968200              1.0000000        
G   1
  1      9.7523000              1.0000000        
G   1
  1      6.4981750              1.0000000        
G   1
  1      2.5669490              1.0000000        
G   1
  1      0.7415720              1.0000000        
H   1
  1     20.7236100              1.0000000        
H   1
  1      8.2648140              1.0000000        
H   1
  1      3.6335050              1.0000000        
H   1
  1      1.4885070              1.0000000        
I   1
  1      6.4232100              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Ag
data:
SILVER
S   1
  1     12.9880100              1.0000000        
S   1
  1      8.6662790              1.0000000        
S   1
  1      5.7638620              1.0000000        
S   1
  1      2.2252000              1.0000000        
S   1
  1      1.3969000              1.0000000        
S   1
  1      0.9330580              1.0000000        
S   1
  1      0.4387890              1.0000000        
P   1
  1     13.3073000              1.0000000        
P   1
  1      8.9584390              1.0000000        
P   1
  1      3.5359000              1.0000000        
P   1
  1      1.2402000              1.0000000        
P   1
  1      0.8365060              1.0000000        
P   1
  1      0.3466010              1.0000000        
D   1
  1     56.0864700              1.0000000        
D   1
  1     12.6350100              1.0000000        
D   1
  1      8.3996330              1.0000000        
D   1
  1      4.4524000              1.0000000        
D   1
  1      1.5748000              1.0000000        
D   1
  1      0.6887130              1.0000000        
F   1
  1     18.4005100              1.0000000        
F   1
  1      5.8492330              1.0000000        
F   1
  1      3.8949010              1.0000000        
F   1
  1      1.3934570              1.0000000        
F   1
  1      0.4319710              1.0000000        
G   1
  1     18.1892300              1.0000000        
G   1
  1     12.1284200              1.0000000        
G   1
  1      3.4990000              1.0000000        
G   1
  1      1.0602030              1.0000000        
G   1
  1      0.4485200              1.0000000        
H   1
  1      6.5612130              1.0000000        
H   1
  1      3.7654840              1.0000000        
H   1
  1      1.8351940              1.0000000        
H   1
  1      0.7682030              1.0000000        
I   1
  1      2.2677190              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Cd
data:
CADMIUM
S   1
  1     14.0033000              1.0000000        
S   1
  1      9.3781600              1.0000000        
S   1
  1      6.2810640              1.0000000        
S   1
  1      2.3847000              1.0000000        
S   1
  1      1.4979000              1.0000000        
S   1
  1      0.9230580              1.0000000        
S   1
  1      0.4476570              1.0000000        
P   1
  1     14.1936900              1.0000000        
P   1
  1      9.6352000              1.0000000        
P   1
  1      3.8946000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.8908050              1.0000000        
P   1
  1      0.3519550              1.0000000        
D   1
  1     53.1135200              1.0000000        
D   1
  1     14.6220100              1.0000000        
D   1
  1      8.5679360              1.0000000        
D   1
  1      5.0344000              1.0000000        
D   1
  1      1.8041000              1.0000000        
D   1
  1      0.7707920              1.0000000        
F   1
  1     12.5015000              1.0000000        
F   1
  1      4.7847500              1.0000000        
F   1
  1      1.9146020              1.0000000        
F   1
  1      1.2761520              1.0000000        
F   1
  1      0.5075280              1.0000000        
G   1
  1      9.0379910              1.0000000        
G   1
  1      6.0128280              1.0000000        
G   1
  1      3.8914000              1.0000000        
G   1
  1      1.2249850              1.0000000        
G   1
  1      0.4278500              1.0000000        
H   1
  1      7.3591130              1.0000000        
H   1
  1      3.8335400              1.0000000        
H   1
  1      1.8353910              1.0000000        
H   1
  1      0.7685240              1.0000000        
I   1
  1      2.5584550              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Au
data:
GOLD
S   1
  1     15.8646600              1.0000000        
S   1
  1     10.5863500              1.0000000        
S   1
  1      7.0672090              1.0000000        
S   1
  1      2.9724350              1.0000000        
S   1
  1      1.9834000              1.0000000        
S   1
  1      1.2448000              1.0000000        
S   1
  1      0.8319210              1.0000000        
P   1
  1     11.7883500              1.0000000        
P   1
  1      8.0161500              1.0000000        
P   1
  1      2.6637000              1.0000000        
P   1
  1      1.1410000              1.0000000        
P   1
  1      0.7680020              1.0000000        
P   1
  1      0.1822350              1.0000000        
D   1
  1     11.5463000              1.0000000        
D   1
  1      7.7001940              1.0000000        
D   1
  1      3.4696000              1.0000000        
D   1
  1      1.2171000              1.0000000        
D   1
  1      0.5904350              1.0000000        
D   1
  1      0.2063210              1.0000000        
F   1
  1      5.7087640              1.0000000        
F   1
  1      3.8055220              1.0000000        
F   1
  1      2.5389910              1.0000000        
F   1
  1      0.8029970              1.0000000        
F   1
  1      0.3058530              1.0000000        
G   1
  1      6.0586110              1.0000000        
G   1
  1      4.0649930              1.0000000        
G   1
  1      2.7283000              1.0000000        
G   1
  1      0.8213260              1.0000000        
G   1
  1      0.3668080              1.0000000        
H   1
  1      5.1133800              1.0000000        
H   1
  1      3.4081930              1.0000000        
H   1
  1      1.6497500              1.0000000        
H   1
  1      0.7040980              1.0000000        
I   1
  1      1.7233740              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Hg
data:
MERCURY
S   1
  1     20.3403200              1.0000000        
S   1
  1     13.5899500              1.0000000        
S   1
  1      9.0798070              1.0000000        
S   1
  1      3.1756500              1.0000000        
S   1
  1      2.1304000              1.0000000        
S   1
  1      1.3378000              1.0000000        
S   1
  1      0.5272570              1.0000000        
P   1
  1     11.8058700              1.0000000        
P   1
  1      8.0785100              1.0000000        
P   1
  1      2.8228000              1.0000000        
P   1
  1      1.1949000              1.0000000        
P   1
  1      0.8019890              1.0000000        
P   1
  1      0.1913850              1.0000000        
D   1
  1     11.8098900              1.0000000        
D   1
  1      7.8919990              1.0000000        
D   1
  1      3.7153000              1.0000000        
D   1
  1      1.3573000              1.0000000        
D   1
  1      0.6721510              1.0000000        
D   1
  1      0.4037470              1.0000000        
F   1
  1      7.2773820              1.0000000        
F   1
  1      4.8571940              1.0000000        
F   1
  1      3.2423690              1.0000000        
F   1
  1      0.8100520              1.0000000        
F   1
  1      0.3271110              1.0000000        
G   1
  1      9.9730510              1.0000000        
G   1
  1      6.6487690              1.0000000        
G   1
  1      4.4367660              1.0000000        
G   1
  1      2.9668000              1.0000000        
G   1
  1      0.4200240              1.0000000        
H   1
  1      7.1550830              1.0000000        
H   1
  1      4.2724950              1.0000000        
H   1
  1      1.9604390              1.0000000        
H   1
  1      0.8778760              1.0000000        
I   1
  1      1.8817780              1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.12719436063          1.0000000        
P   1
  1      0.23551289521          1.0000000        
D   1
  1      0.43665405053          1.0000000        
F   1
  1      0.25297787763          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.87263816280E-01            1.0000000        
P   1
  1      0.24000663932          1.0000000        
D   1
  1      0.80340665713          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.63060508493E-01            1.0000000        
P   1
  1      0.64508175700E-01            1.0000000        
D   1
  1      0.64348794203E-01            1.0000000        
F   1
  1      0.12024392666          1.0000000        
G   1
  1      0.25023189780          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.10153627861          1.0000000        
P   1
  1      0.11505954436          1.0000000        
D   1
  1      0.14890456005          1.0000000        
F   1
  1      0.20179277037          1.0000000        
G   1
  1      0.43599752945          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.10109736226          1.0000000        
P   1
  1      0.14810183674          1.0000000        
D   1
  1      0.13410649139          1.0000000        
F   1
  1      0.28858743337          1.0000000        
G   1
  1      0.59981188305          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.11211820118          1.0000000        
P   1
  1      0.21354459926          1.0000000        
D   1
  1      0.16734574676          1.0000000        
F   1
  1      0.40383704543          1.0000000        
G   1
  1      0.78655757162          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.16036333505          1.0000000        
P   1
  1      0.27964440052          1.0000000        
D   1
  1      0.25104879478          1.0000000        
F   1
  1      0.54566142891          1.0000000        
G   1
  1      1.1028184369           1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.25533924399          1.0000000        
P   1
  1      0.39641689912          1.0000000        
D   1
  1      0.33257330099          1.0000000        
F   1
  1      0.73705250831          1.0000000        
G   1
  1      1.5785006538           1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.48543337036E-01            1.0000000        
P   1
  1      0.31796335776E-01            1.0000000        
D   1
  1      0.79493936783E-01            1.0000000        
F   1
  1      0.69775902524E-01            1.0000000        
G   1
  1      0.11561755717          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.72333167756E-01            1.0000000        
P   1
  1      0.65396946777E-01            1.0000000        
D   1
  1      0.11023921964          1.0000000        
F   1
  1      0.11118652900          1.0000000        
G   1
  1      0.20000343242          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1      0.50828031060E-01            1.0000000        
P   1
  1      0.89763566127E-01            1.0000000        
D   1
  1      0.77524539620E-01            1.0000000        
F   1
  1      0.14225917049          1.0000000        
G   1
  1      0.27056437513          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.66586192238E-01            1.0000000        
P   1
  1      0.11946504342          1.0000000        
D   1
  1      0.96752404967E-01            1.0000000        
F   1
  1      0.19655074387          1.0000000        
G   1
  1      0.35774378208          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.92695553335E-01            1.0000000        
P   1
  1      0.15133298951          1.0000000        
D   1
  1      0.14102900292          1.0000000        
F   1
  1      0.25075597124          1.0000000        
G   1
  1      0.48334884461          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.88719890000E-01            1.0000000        
P   1
  1      0.14573991784          1.0000000        
D   1
  1      0.19303766548          1.0000000        
F   1
  1      0.32057808076          1.0000000        
G   1
  1      0.67072648216          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ga
data:
GALLIUM
S   1
  1      0.66907365746E-01            1.0000000        
P   1
  1      0.67353194172E-01            1.0000000        
D   1
  1      0.81245696063E-01            1.0000000        
F   1
  1      0.72809157783E-01            1.0000000        
G   1
  1      0.13836370517          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ge
data:
GERMANIUM
S   1
  1      0.68456832533E-01            1.0000000        
P   1
  1      0.62952752868E-01            1.0000000        
D   1
  1      0.93719538811E-01            1.0000000        
F   1
  1      0.10391387147          1.0000000        
G   1
  1      0.21313134732          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: As
data:
ARSENIC
S   1
  1      0.44510539358E-01            1.0000000        
P   1
  1      0.77565378252E-01            1.0000000        
D   1
  1      0.64849366320E-01            1.0000000        
F   1
  1      0.13197336307          1.0000000        
G   1
  1      0.26889635998          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Se
data:
SELENIUM
S   1
  1      0.59231987243E-01            1.0000000        
P   1
  1      0.94953496087E-01            1.0000000        
D   1
  1      0.84832618318E-01            1.0000000        
F   1
  1      0.16171862063          1.0000000        
G   1
  1      0.31324898123          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Br
data:
BROMINE
S   1
  1      0.95725454946E-01            1.0000000        
P   1
  1      0.10320557000          1.0000000        
D   1
  1      0.12313503253          1.0000000        
F   1
  1      0.19945647738          1.0000000        
G   1
  1      0.43233681670          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Kr
data:
KRYPTON
S   1
  1      0.78958258477E-01            1.0000000        
P   1
  1      0.10367144547          1.0000000        
D   1
  1      0.16260914954          1.0000000        
F   1
  1      0.25907858896          1.0000000        
G   1
  1      0.53594545709          1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      1.7470550              1.0000000        
S   1
  1      0.4888250              1.0000000        
S   1
  1      0.2076740              1.0000000        
P   1
  1      4.8370960              1.0000000        
P   1
  1      2.1141910              1.0000000        
P   1
  1      0.7026260              1.0000000        
D   1
  1      1.7849140              1.0000000        
D   1
  1      0.6175130              1.0000000        
F   1
  1      1.9187250              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: He
data:
HELIUM
S   1
  1      4.7766510              1.0000000        
S   1
  1      1.0273960              1.0000000        
S   1
  1      0.3124060              1.0000000        
P   1
  1      7.7011780              1.0000000        
P   1
  1      2.0313920              1.0000000        
P   1
  1      0.1190650              1.0000000        
D   1
  1      4.5412270              1.0000000        
D   1
  1      1.0478080              1.0000000        
F   1
  1      2.4275120              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: B
data:
BORON
S   1
  1      2.2671480              1.0000000        
S   1
  1      0.8800790              1.0000000        
S   1
  1      0.2447880              1.0000000        
S   1
  1      0.0461640              1.0000000        
P   1
  1      2.4841420              1.0000000        
P   1
  1      0.7528550              1.0000000        
P   1
  1      0.4190740              1.0000000        
P   1
  1      0.1156080              1.0000000        
P   1
  1      0.0401160              1.0000000        
D   1
  1      4.8473750              1.0000000        
D   1
  1      1.3974980              1.0000000        
D   1
  1      0.3936640              1.0000000        
D   1
  1      0.0908640              1.0000000        
F   1
  1      1.8840320              1.0000000        
F   1
  1      0.8787800              1.0000000        
F   1
  1      0.2700710              1.0000000        
G   1
  1      1.0223720              1.0000000        
G   1
  1      0.3753310              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: C
data:
CARBON
S   1
  1      3.9642050              1.0000000        
S   1
  1      1.3508990              1.0000000        
S   1
  1      0.3471600              1.0000000        
S   1
  1      0.0712960              1.0000000        
P   1
  1      3.3634370              1.0000000        
P   1
  1      1.0793800              1.0000000        
P   1
  1      0.5719810              1.0000000        
P   1
  1      0.1805510              1.0000000        
P   1
  1      0.0536290              1.0000000        
D   1
  1      4.9484350              1.0000000        
D   1
  1      2.0420780              1.0000000        
D   1
  1      0.4992050              1.0000000        
D   1
  1      0.1497380              1.0000000        
F   1
  1      3.4897200              1.0000000        
F   1
  1      1.3604080              1.0000000        
F   1
  1      0.5069690              1.0000000        
G   1
  1      1.6030840              1.0000000        
G   1
  1      0.5832310              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      5.8477420              1.0000000        
S   1
  1      2.0001550              1.0000000        
S   1
  1      0.4941380              1.0000000        
S   1
  1      0.0863850              1.0000000        
P   1
  1      4.4463680              1.0000000        
P   1
  1      1.4548940              1.0000000        
P   1
  1      0.8850870              1.0000000        
P   1
  1      0.2580350              1.0000000        
P   1
  1      0.0734520              1.0000000        
D   1
  1      7.9836110              1.0000000        
D   1
  1      3.4268080              1.0000000        
D   1
  1      0.7908440              1.0000000        
D   1
  1      0.2395990              1.0000000        
F   1
  1      5.4040350              1.0000000        
F   1
  1      2.0241770              1.0000000        
F   1
  1      0.7290710              1.0000000        
G   1
  1      2.5286770              1.0000000        
G   1
  1      0.9505390              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: O
data:
OXYGEN
S   1
  1     11.3525810              1.0000000        
S   1
  1      3.3758930              1.0000000        
S   1
  1      0.4533020              1.0000000        
S   1
  1      0.1104370              1.0000000        
P   1
  1      5.4560910              1.0000000        
P   1
  1      2.3525840              1.0000000        
P   1
  1      1.0679520              1.0000000        
P   1
  1      0.3301450              1.0000000        
P   1
  1      0.0893680              1.0000000        
D   1
  1     12.0698490              1.0000000        
D   1
  1      4.2787000              1.0000000        
D   1
  1      1.3747810              1.0000000        
D   1
  1      0.3193270              1.0000000        
F   1
  1      6.9152510              1.0000000        
F   1
  1      3.2424930              1.0000000        
F   1
  1      0.7499350              1.0000000        
G   1
  1      3.1413190              1.0000000        
G   1
  1      1.0754710              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: F
data:
FLUORINE
S   1
  1     16.2490860              1.0000000        
S   1
  1      3.3814200              1.0000000        
S   1
  1      1.0996880              1.0000000        
S   1
  1      0.1373010              1.0000000        
P   1
  1      7.6657940              1.0000000        
P   1
  1      3.0196150              1.0000000        
P   1
  1      1.3629930              1.0000000        
P   1
  1      0.4042330              1.0000000        
P   1
  1      0.1517170              1.0000000        
D   1
  1     16.2177680              1.0000000        
D   1
  1      5.6999140              1.0000000        
D   1
  1      2.0227140              1.0000000        
D   1
  1      0.4381950              1.0000000        
F   1
  1      9.8128910              1.0000000        
F   1
  1      4.8118310              1.0000000        
F   1
  1      1.0807210              1.0000000        
G   1
  1      4.0534990              1.0000000        
G   1
  1      1.3579070              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ne
data:
NEON
S   1
  1     21.7638680              1.0000000        
S   1
  1      4.4564600              1.0000000        
S   1
  1      1.4799290              1.0000000        
S   1
  1      0.2236740              1.0000000        
P   1
  1      8.8150200              1.0000000        
P   1
  1      3.5110110              1.0000000        
P   1
  1      1.7043880              1.0000000        
P   1
  1      0.5458350              1.0000000        
P   1
  1      0.2194280              1.0000000        
D   1
  1     36.0260060              1.0000000        
D   1
  1     11.0592340              1.0000000        
D   1
  1      1.7659490              1.0000000        
D   1
  1      0.6389530              1.0000000        
F   1
  1     13.0362870              1.0000000        
F   1
  1      7.6031790              1.0000000        
F   1
  1      1.6025530              1.0000000        
G   1
  1      5.1878530              1.0000000        
G   1
  1      1.7994760              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      3.9522820              1.0000000        
S   1
  1      0.4992660              1.0000000        
S   1
  1      0.1136130              1.0000000        
S   1
  1      0.0342020              1.0000000        
P   1
  1      4.3226840              1.0000000        
P   1
  1      1.9794900              1.0000000        
P   1
  1      1.3229000              1.0000000        
P   1
  1      0.4387020              1.0000000        
P   1
  1      0.0305890              1.0000000        
D   1
  1      9.2862280              1.0000000        
D   1
  1      2.3523380              1.0000000        
D   1
  1      0.4988180              1.0000000        
D   1
  1      0.1663920              1.0000000        
F   1
  1      1.3241760              1.0000000        
F   1
  1      0.4109700              1.0000000        
F   1
  1      0.1506400              1.0000000        
G   1
  1      0.4818550              1.0000000        
G   1
  1      0.2259170              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Si
data:
SILICON
S   1
  1      6.5782740              1.0000000        
S   1
  1      0.7017370              1.0000000        
S   1
  1      0.1677000              1.0000000        
S   1
  1      0.0511820              1.0000000        
P   1
  1      7.2071580              1.0000000        
P   1
  1      2.1878490              1.0000000        
P   1
  1      1.3682450              1.0000000        
P   1
  1      0.3834360              1.0000000        
P   1
  1      0.0399350              1.0000000        
D   1
  1     10.0654090              1.0000000        
D   1
  1      4.1416080              1.0000000        
D   1
  1      0.9188210              1.0000000        
D   1
  1      0.2559090              1.0000000        
F   1
  1      2.9190560              1.0000000        
F   1
  1      0.5155120              1.0000000        
F   1
  1      0.2244170              1.0000000        
G   1
  1      0.6519090              1.0000000        
G   1
  1      0.3176700              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1      8.2324400              1.0000000        
S   1
  1      1.4034300              1.0000000        
S   1
  1      0.3101870              1.0000000        
S   1
  1      0.0660430              1.0000000        
P   1
  1      9.6778770              1.0000000        
P   1
  1      2.5253700              1.0000000        
P   1
  1      1.2013060              1.0000000        
P   1
  1      0.3966700              1.0000000        
P   1
  1      0.0459970              1.0000000        
D   1
  1     13.6486590              1.0000000        
D   1
  1      4.6678810              1.0000000        
D   1
  1      2.0793380              1.0000000        
D   1
  1      0.3266950              1.0000000        
F   1
  1      4.2525360              1.0000000        
F   1
  1      0.6887660              1.0000000        
F   1
  1      0.3019800              1.0000000        
G   1
  1      0.8484670              1.0000000        
G   1
  1      0.4037330              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: S
data:
SULFUR
S   1
  1      7.1544480              1.0000000        
S   1
  1      1.7056790              1.0000000        
S   1
  1      0.3879650              1.0000000        
S   1
  1      0.0799490              1.0000000        
P   1
  1     12.3430660              1.0000000        
P   1
  1      3.4969470              1.0000000        
P   1
  1      1.6303970              1.0000000        
P   1
  1      0.5394130              1.0000000        
P   1
  1      0.0564700              1.0000000        
D   1
  1     19.2901410              1.0000000        
D   1
  1      7.3717540              1.0000000        
D   1
  1      1.8762860              1.0000000        
D   1
  1      0.4365220              1.0000000        
F   1
  1      5.4398970              1.0000000        
F   1
  1      0.8572980              1.0000000        
F   1
  1      0.3723600              1.0000000        
G   1
  1      1.0512970              1.0000000        
G   1
  1      0.4871740              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1      7.6159120              1.0000000        
S   1
  1      1.7009310              1.0000000        
S   1
  1      0.4736950              1.0000000        
S   1
  1      0.1084980              1.0000000        
P   1
  1     13.8389550              1.0000000        
P   1
  1      4.1705200              1.0000000        
P   1
  1      1.9624920              1.0000000        
P   1
  1      0.5556280              1.0000000        
P   1
  1      0.0847390              1.0000000        
D   1
  1     24.8750520              1.0000000        
D   1
  1     10.0803690              1.0000000        
D   1
  1      2.0236740              1.0000000        
D   1
  1      0.5084740              1.0000000        
F   1
  1      6.8531320              1.0000000        
F   1
  1      1.0625280              1.0000000        
F   1
  1      0.4718520              1.0000000        
G   1
  1      1.2891180              1.0000000        
G   1
  1      0.5923200              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ar
data:
ARGON
S   1
  1      8.6144650              1.0000000        
S   1
  1      1.8927430              1.0000000        
S   1
  1      0.5698370              1.0000000        
S   1
  1      0.1306560              1.0000000        
P   1
  1     16.8243680              1.0000000        
P   1
  1      6.3006820              1.0000000        
P   1
  1      2.8069490              1.0000000        
P   1
  1      0.5350510              1.0000000        
P   1
  1      0.0825950              1.0000000        
D   1
  1     31.2553800              1.0000000        
D   1
  1     12.4499870              1.0000000        
D   1
  1      2.3563880              1.0000000        
D   1
  1      0.6428840              1.0000000        
F   1
  1      8.1895310              1.0000000        
F   1
  1      1.3323360              1.0000000        
F   1
  1      0.6026280              1.0000000        
G   1
  1      1.5693630              1.0000000        
G   1
  1      0.7470470              1.0000000        


name: aug-cc-pwCV5Z-DK
description: error in tight CV s functions for Fe aug-cc-pwCV5Z-DK
elt: Fe
data:
IRON
S   27
  1      1.497690E+08           9.531119E-06     
  2      2.672250E+07           2.300510E-05     
  3      5.959000E+06           6.533733E-05     
  4      1.593610E+06           1.539246E-04     
  5      4.934640E+05           3.441447E-04     
  6      1.717900E+05           7.285032E-04     
  7      6.562090E+04           1.517001E-03     
  8      2.696560E+04           3.152876E-03     
  9      1.173530E+04           6.646998E-03     
 10      5.343430E+03           1.421791E-02     
 11      2.522500E+03           3.045407E-02     
 12      1.226430E+03           6.326536E-02     
 13      6.112690E+02           1.217368E-01     
 14      3.113080E+02           2.031899E-01     
 15      1.616240E+02           2.639911E-01     
 16      8.537670E+01           2.217772E-01     
 17      4.579110E+01           9.737963E-02     
 18      2.486770E+01           4.984019E-02     
 19      1.362020E+01           8.424513E-02     
 20      7.481060E+00           6.965248E-02     
 21      4.088170E+00           1.953405E-02     
 22      2.199050E+00           1.411159E-03     
 23      1.148150E+00          -3.351105E-05     
 24      5.772650E-01          -6.461351E-05     
 25      1.976350E-01          -5.426027E-07     
 26      1.089860E-01           9.196538E-06     
 27      5.321600E-02           8.539820E-06     
S   27
  1      1.497690E+08          -4.913763E-06     
  2      2.672250E+07          -1.186149E-05     
  3      5.959000E+06          -3.369390E-05     
  4      1.593610E+06          -7.940325E-05     
  5      4.934640E+05          -1.776260E-04     
  6      1.717900E+05          -3.763323E-04     
  7      6.562090E+04          -7.847577E-04     
  8      2.696560E+04          -1.634599E-03     
  9      1.173530E+04          -3.458929E-03     
 10      5.343430E+03          -7.445276E-03     
 11      2.522500E+03          -1.613255E-02     
 12      1.226430E+03          -3.424328E-02     
 13      6.112690E+02          -6.867767E-02     
 14      3.113080E+02          -1.241129E-01     
 15      1.616240E+02          -1.879234E-01     
 16      8.537670E+01          -2.035676E-01     
 17      4.579110E+01          -8.676264E-02     
 18      2.486770E+01           1.846239E-01     
 19      1.362020E+01           4.648402E-01     
 20      7.481060E+00           3.903679E-01     
 21      4.088170E+00           1.090655E-01     
 22      2.199050E+00           7.382610E-03     
 23      1.148150E+00          -1.537976E-03     
 24      5.772650E-01          -7.905751E-04     
 25      1.976350E-01          -6.577098E-05     
 26      1.089860E-01           8.549943E-05     
 27      5.321600E-02           3.097134E-05     
S   27
  1      1.497690E+08           1.145921E-06     
  2      2.672250E+07           2.766402E-06     
  3      5.959000E+06           7.859110E-06     
  4      1.593610E+06           1.852562E-05     
  5      4.934640E+05           4.145544E-05     
  6      1.717900E+05           8.789446E-05     
  7      6.562090E+04           1.834278E-04     
  8      2.696560E+04           3.827944E-04     
  9      1.173530E+04           8.117003E-04     
 10      5.343430E+03           1.756160E-03     
 11      2.522500E+03           3.832022E-03     
 12      1.226430E+03           8.263218E-03     
 13      6.112690E+02           1.700162E-02     
 14      3.113080E+02           3.230925E-02     
 15      1.616240E+02           5.300739E-02     
 16      8.537670E+01           6.470433E-02     
 17      4.579110E+01           2.828077E-02     
 18      2.486770E+01          -9.137907E-02     
 19      1.362020E+01          -2.999505E-01     
 20      7.481060E+00          -3.644776E-01     
 21      4.088170E+00          -1.915949E-02     
 22      2.199050E+00           4.570656E-01     
 23      1.148150E+00           5.657498E-01     
 24      5.772650E-01           2.232925E-01     
 25      1.976350E-01           1.356199E-02     
 26      1.089860E-01          -2.894495E-03     
 27      5.321600E-02           2.889479E-03     
S   27
  1      1.497690E+08          -2.499184E-07     
  2      2.672250E+07          -6.033367E-07     
  3      5.959000E+06          -1.714026E-06     
  4      1.593610E+06          -4.040379E-06     
  5      4.934640E+05          -9.041239E-06     
  6      1.717900E+05          -1.916995E-05     
  7      6.562090E+04          -4.000594E-05     
  8      2.696560E+04          -8.349108E-05     
  9      1.173530E+04          -1.770532E-04     
 10      5.343430E+03          -3.830627E-04     
 11      2.522500E+03          -8.361335E-04     
 12      1.226430E+03          -1.803028E-03     
 13      6.112690E+02          -3.713337E-03     
 14      3.113080E+02          -7.060540E-03     
 15      1.616240E+02          -1.161964E-02     
 16      8.537670E+01          -1.421996E-02     
 17      4.579110E+01          -6.293242E-03     
 18      2.486770E+01           2.055029E-02     
 19      1.362020E+01           6.959376E-02     
 20      7.481060E+00           8.869390E-02     
 21      4.088170E+00           4.909512E-04     
 22      2.199050E+00          -1.299238E-01     
 23      1.148150E+00          -2.097213E-01     
 24      5.772650E-01          -1.737261E-01     
 25      1.976350E-01           1.060750E-01     
 26      1.089860E-01           4.180125E-01     
 27      5.321600E-02           4.927516E-01     
S   27
  1      1.497690E+08          -5.057064E-07     
  2      2.672250E+07          -1.220404E-06     
  3      5.959000E+06          -3.469376E-06     
  4      1.593610E+06          -8.167834E-06     
  5      4.934640E+05          -1.832321E-05     
  6      1.717900E+05          -3.866489E-05     
  7      6.562090E+04          -8.138991E-05     
  8      2.696560E+04          -1.674412E-04     
  9      1.173530E+04          -3.628889E-04     
 10      5.343430E+03          -7.617575E-04     
 11      2.522500E+03          -1.728858E-03     
 12      1.226430E+03          -3.554612E-03     
 13      6.112690E+02          -7.758713E-03     
 14      3.113080E+02          -1.373763E-02     
 15      1.616240E+02          -2.493160E-02     
 16      8.537670E+01          -2.593594E-02     
 17      4.579110E+01          -1.941813E-02     
 18      2.486770E+01           5.554122E-02     
 19      1.362020E+01           1.214082E-01     
 20      7.481060E+00           2.442000E-01     
 21      4.088170E+00          -9.045983E-02     
 22      2.199050E+00          -2.628125E-01     
 23      1.148150E+00          -7.631501E-01     
 24      5.772650E-01           3.326928E-01     
 25      1.976350E-01           1.404621E+00     
 26      1.089860E-01          -4.692165E-02     
 27      5.321600E-02          -5.871979E-01     
S   27
  1      1.497690E+08          -8.093468E-07     
  2      2.672250E+07          -1.952950E-06     
  3      5.959000E+06          -5.553066E-06     
  4      1.593610E+06          -1.306815E-05     
  5      4.934640E+05          -2.934013E-05     
  6      1.717900E+05          -6.181847E-05     
  7      6.562090E+04          -1.304882E-04     
  8      2.696560E+04          -2.672449E-04     
  9      1.173530E+04          -5.831799E-04     
 10      5.343430E+03          -1.212784E-03     
 11      2.522500E+03          -2.786404E-03     
 12      1.226430E+03          -5.647232E-03     
 13      6.112690E+02          -1.255431E-02     
 14      3.113080E+02          -2.178032E-02     
 15      1.616240E+02          -4.077901E-02     
 16      8.537670E+01          -4.054708E-02     
 17      4.579110E+01          -3.465794E-02     
 18      2.486770E+01           9.685341E-02     
 19      1.362020E+01           2.002373E-01     
 20      7.481060E+00           4.769334E-01     
 21      4.088170E+00          -2.581863E-01     
 22      2.199050E+00          -9.230158E-01     
 23      1.148150E+00          -9.809175E-01     
 24      5.772650E-01           2.397220E+00     
 25      1.976350E-01           3.264145E-01     
 26      1.089860E-01          -2.193316E+00     
 27      5.321600E-02           3.872588E-01     
S   27
  1      1.497690E+08           1.009555E-06     
  2      2.672250E+07           2.438973E-06     
  3      5.959000E+06           6.919803E-06     
  4      1.593610E+06           1.635306E-05     
  5      4.934640E+05           3.641348E-05     
  6      1.717900E+05           7.794704E-05     
  7      6.562090E+04           1.599140E-04     
  8      2.696560E+04           3.433745E-04     
  9      1.173530E+04           6.974589E-04     
 10      5.343430E+03           1.602278E-03     
 11      2.522500E+03           3.239062E-03     
 12      1.226430E+03           7.683257E-03     
 13      6.112690E+02           1.414236E-02     
 14      3.113080E+02           3.109497E-02     
 15      1.616240E+02           4.257946E-02     
 16      8.537670E+01           7.133516E-02     
 17      4.579110E+01           2.183397E-03     
 18      2.486770E+01          -3.611419E-02     
 19      1.362020E+01          -4.667594E-01     
 20      7.481060E+00          -4.745196E-01     
 21      4.088170E+00           3.405478E-01     
 22      2.199050E+00           2.965055E+00     
 23      1.148150E+00          -3.124263E+00     
 24      5.772650E-01          -7.678803E-01     
 25      1.976350E-01           4.549504E+00     
 26      1.089860E-01          -3.555516E+00     
 27      5.321600E-02          -7.601738E-01     
S   27
  1      1.497690E+08          -1.171395E-06     
  2      2.672250E+07          -2.828050E-06     
  3      5.959000E+06          -8.033704E-06     
  4      1.593610E+06          -1.894135E-05     
  5      4.934640E+05          -4.237323E-05     
  6      1.717900E+05          -8.991028E-05     
  7      6.562090E+04          -1.874489E-04     
  8      2.696560E+04          -3.920043E-04     
  9      1.173530E+04          -8.294306E-04     
 10      5.343430E+03          -1.802024E-03     
 11      2.522500E+03          -3.921863E-03     
 12      1.226430E+03          -8.517307E-03     
 13      6.112690E+02          -1.752690E-02     
 14      3.113080E+02          -3.380397E-02     
 15      1.616240E+02          -5.606095E-02     
 16      8.537670E+01          -7.105126E-02     
 17      4.579110E+01          -3.324306E-02     
 18      2.486770E+01           1.098520E-01     
 19      1.362020E+01           4.989928E-01     
 20      7.481060E+00           1.180867E+00     
 21      4.088170E+00          -2.682314E+00     
 22      2.199050E+00          -1.995422E+00     
 23      1.148150E+00           8.024293E+00     
 24      5.772650E-01          -7.388690E+00     
 25      1.976350E-01           3.656810E+00     
 26      1.089860E-01           5.149325E-01     
 27      5.321600E-02          -3.554667E+00     
S   1
  1      2.557100E-02           1.0000000        
S   1
  1      6.622400E+00           1.0000000        
S   1
  1      2.214000E+00           1.0000000        
S   1
  1      0.0122900              1.0000000        
P   19
  1      8.694730E+04           2.100000E-05     
  2      2.125400E+04           6.500000E-05     
  3      6.741140E+03           2.530000E-04     
  4      2.557160E+03           8.630000E-04     
  5      1.093510E+03           2.880000E-03     
  6      5.061610E+02           8.871000E-03     
  7      2.471390E+02           2.510200E-02     
  8      1.254150E+02           6.332100E-02     
  9      6.565120E+01           1.358630E-01     
 10      3.530790E+01           2.327030E-01     
 11      1.942600E+01           3.046360E-01     
 12      1.084380E+01           2.687880E-01     
 13      6.043590E+00           1.273450E-01     
 14      3.302450E+00           2.283300E-02     
 15      1.763890E+00          -1.141000E-03     
 16      9.213860E-01          -2.029000E-03     
 17      4.603730E-01          -8.150000E-04     
 18      1.837720E-01          -5.400000E-05     
 19      7.583300E-02          -2.000000E-06     
P   19
  1      8.694730E+04          -7.000000E-06     
  2      2.125400E+04          -2.300000E-05     
  3      6.741140E+03          -8.900000E-05     
  4      2.557160E+03          -3.050000E-04     
  5      1.093510E+03          -1.021000E-03     
  6      5.061610E+02          -3.160000E-03     
  7      2.471390E+02          -9.040000E-03     
  8      1.254150E+02          -2.325300E-02     
  9      6.565120E+01          -5.143700E-02     
 10      3.530790E+01          -9.133900E-02     
 11      1.942600E+01          -1.258840E-01     
 12      1.084380E+01          -1.069500E-01     
 13      6.043590E+00           4.101900E-02     
 14      3.302450E+00           2.708820E-01     
 15      1.763890E+00           4.012450E-01     
 16      9.213860E-01           3.176300E-01     
 17      4.603730E-01           1.157220E-01     
 18      1.837720E-01           1.016500E-02     
 19      7.583300E-02          -1.700000E-04     
P   19
  1      8.694730E+04           1.000000E-06     
  2      2.125400E+04           5.000000E-06     
  3      6.741140E+03           1.800000E-05     
  4      2.557160E+03           6.200000E-05     
  5      1.093510E+03           2.060000E-04     
  6      5.061610E+02           6.410000E-04     
  7      2.471390E+02           1.823000E-03     
  8      1.254150E+02           4.724000E-03     
  9      6.565120E+01           1.040000E-02     
 10      3.530790E+01           1.867000E-02     
 11      1.942600E+01           2.558200E-02     
 12      1.084380E+01           2.223100E-02     
 13      6.043590E+00          -1.184000E-02     
 14      3.302450E+00          -6.396100E-02     
 15      1.763890E+00          -1.027460E-01     
 16      9.213860E-01          -8.752100E-02     
 17      4.603730E-01           1.970400E-02     
 18      1.837720E-01           3.183820E-01     
 19      7.583300E-02           5.417010E-01     
P   19
  1      8.694730E+04           2.000000E-06     
  2      2.125400E+04           8.000000E-06     
  3      6.741140E+03           3.000000E-05     
  4      2.557160E+03           1.010000E-04     
  5      1.093510E+03           3.450000E-04     
  6      5.061610E+02           1.044000E-03     
  7      2.471390E+02           3.062000E-03     
  8      1.254150E+02           7.685000E-03     
  9      6.565120E+01           1.753200E-02     
 10      3.530790E+01           3.016100E-02     
 11      1.942600E+01           4.422700E-02     
 12      1.084380E+01           3.394600E-02     
 13      6.043590E+00          -1.352500E-02     
 14      3.302450E+00          -1.194880E-01     
 15      1.763890E+00          -1.621650E-01     
 16      9.213860E-01          -1.665290E-01     
 17      4.603730E-01           1.323570E-01     
 18      1.837720E-01           6.424150E-01     
 19      7.583300E-02           3.670330E-01     
P   19
  1      8.694730E+04           5.000000E-06     
  2      2.125400E+04           1.600000E-05     
  3      6.741140E+03           6.400000E-05     
  4      2.557160E+03           2.050000E-04     
  5      1.093510E+03           7.420000E-04     
  6      5.061610E+02           2.112000E-03     
  7      2.471390E+02           6.608000E-03     
  8      1.254150E+02           1.552500E-02     
  9      6.565120E+01           3.812900E-02     
 10      3.530790E+01           5.988300E-02     
 11      1.942600E+01           1.016430E-01     
 12      1.084380E+01           6.563800E-02     
 13      6.043590E+00          -8.619000E-03     
 14      3.302450E+00          -3.943080E-01     
 15      1.763890E+00          -4.130690E-01     
 16      9.213860E-01           8.383000E-03     
 17      4.603730E-01           1.195480E+00     
 18      1.837720E-01          -8.571000E-02     
 19      7.583300E-02          -7.319400E-01     
P   19
  1      8.694730E+04           7.000000E-06     
  2      2.125400E+04           2.200000E-05     
  3      6.741140E+03           7.500000E-05     
  4      2.557160E+03           2.990000E-04     
  5      1.093510E+03           8.360000E-04     
  6      5.061610E+02           3.150000E-03     
  7      2.471390E+02           7.347000E-03     
  8      1.254150E+02           2.347700E-02     
  9      6.565120E+01           4.108700E-02     
 10      3.530790E+01           9.755200E-02     
 11      1.942600E+01           9.084200E-02     
 12      1.084380E+01           2.145040E-01     
 13      6.043590E+00          -2.163130E-01     
 14      3.302450E+00          -6.998590E-01     
 15      1.763890E+00          -5.724700E-01     
 16      9.213860E-01           2.128303E+00     
 17      4.603730E-01          -6.883840E-01     
 18      1.837720E-01          -1.235466E+00     
 19      7.583300E-02           1.097960E+00     
P   19
  1      8.694730E+04           9.000000E-06     
  2      2.125400E+04           2.900000E-05     
  3      6.741140E+03           1.090000E-04     
  4      2.557160E+03           3.970000E-04     
  5      1.093510E+03           1.230000E-03     
  6      5.061610E+02           4.171000E-03     
  7      2.471390E+02           1.095300E-02     
  8      1.254150E+02           3.129800E-02     
  9      6.565120E+01           6.292500E-02     
 10      3.530790E+01           1.287670E-01     
 11      1.942600E+01           1.531790E-01     
 12      1.084380E+01           3.717700E-01     
 13      6.043590E+00          -8.112890E-01     
 14      3.302450E+00          -1.554388E+00     
 15      1.763890E+00           2.844491E+00     
 16      9.213860E-01          -3.331810E-01     
 17      4.603730E-01          -2.070494E+00     
 18      1.837720E-01           2.197026E+00     
 19      7.583300E-02          -1.047747E+00     
P   1
  1      3.109900E-02           1.0000000        
P   1
  1      1.001280E+01           1.0000000        
P   1
  1      3.186900E+00           1.0000000        
P   1
  1      0.0127500              1.0000000        
D   11
  1      5.184160E+02           1.600000E-04     
  2      1.528190E+02           1.455000E-03     
  3      5.858690E+01           8.031000E-03     
  4      2.545640E+01           2.971400E-02     
  5      1.178680E+01           8.223200E-02     
  6      5.718610E+00           1.721170E-01     
  7      2.824170E+00           2.605020E-01     
  8      1.379850E+00           2.998410E-01     
  9      6.561600E-01           2.711060E-01     
 10      2.996090E-01           1.810280E-01     
 11      1.293610E-01           7.104300E-02     
D   11
  1      5.184160E+02          -1.770000E-04     
  2      1.528190E+02          -1.610000E-03     
  3      5.858690E+01          -8.916000E-03     
  4      2.545640E+01          -3.317100E-02     
  5      1.178680E+01          -9.400200E-02     
  6      5.718610E+00          -1.993290E-01     
  7      2.824170E+00          -2.718150E-01     
  8      1.379850E+00          -1.664290E-01     
  9      6.561600E-01           1.583620E-01     
 10      2.996090E-01           4.350360E-01     
 11      1.293610E-01           3.719440E-01     
D   11
  1      5.184160E+02          -2.540000E-04     
  2      1.528190E+02          -2.339000E-03     
  3      5.858690E+01          -1.299300E-02     
  4      2.545640E+01          -4.910900E-02     
  5      1.178680E+01          -1.441260E-01     
  6      5.718610E+00          -3.047430E-01     
  7      2.824170E+00          -2.717250E-01     
  8      1.379850E+00           2.521590E-01     
  9      6.561600E-01           6.338040E-01     
 10      2.996090E-01           1.322800E-02     
 11      1.293610E-01          -6.003050E-01     
D   11
  1      5.184160E+02          -3.410000E-04     
  2      1.528190E+02          -3.247000E-03     
  3      5.858690E+01          -1.768300E-02     
  4      2.545640E+01          -6.901000E-02     
  5      1.178680E+01          -2.130540E-01     
  6      5.718610E+00          -4.729490E-01     
  7      2.824170E+00           8.417800E-02     
  8      1.379850E+00           1.019310E+00     
  9      6.561600E-01          -3.538990E-01     
 10      2.996090E-01          -8.589280E-01     
 11      1.293610E-01           5.806560E-01     
D   11
  1      5.184160E+02          -4.710000E-04     
  2      1.528190E+02          -4.007000E-03     
  3      5.858690E+01          -2.411700E-02     
  4      2.545640E+01          -8.928600E-02     
  5      1.178680E+01          -3.436340E-01     
  6      5.718610E+00          -5.125270E-01     
  7      2.824170E+00           1.246333E+00     
  8      1.379850E+00          -2.830500E-02     
  9      6.561600E-01          -1.483245E+00     
 10      2.996090E-01           1.390922E+00     
 11      1.293610E-01          -1.698910E-01     
D   1
  1      5.115500E-02           1.0000000        
D   1
  1      7.098200E+00           1.0000000        
D   1
  1      4.277200E+00           1.0000000        
D   1
  1      0.0202300              1.0000000        
F   1
  1      1.104710E+01           1.0000000        
F   1
  1      4.854100E+00           1.0000000        
F   1
  1      2.132900E+00           1.0000000        
F   1
  1      9.372000E-01           1.0000000        
F   1
  1      3.141000E-01           1.0000000        
F   1
  1      0.1052700              1.0000000        
G   1
  1      7.547500E+00           1.0000000        
G   1
  1      3.673700E+00           1.0000000        
G   1
  1      1.788100E+00           1.0000000        
G   1
  1      6.564000E-01           1.0000000        
G   1
  1      0.2409600              1.0000000        
H   1
  1      6.926300E+00           1.0000000        
H   1
  1      3.252700E+00           1.0000000        
H   1
  1      1.296400E+00           1.0000000        
H   1
  1      0.5166900              1.0000000        
I   1
  1      7.056900E+00           1.0000000        
I   1
  1      3.118000E+00           1.0000000        
I   1
  1      1.3776500              1.0000000        


