%BASIS "cc-pV6Z" CARTESIAN basis:( %Elements References %-------- ---------- %H: K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published). %B - Ne: A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct. % (THEOCHEM) 388, 339 (1997). % % % BASIS SET: (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h] hydrogen: "cc-pV6Z": [ (type: [am = s] {exp coef:0} = { 1776.7755600 0.44000000000E-04 254.01771200 0.37200000000E-03 54.698039000 0.20940000000E-02 15.018344000 0.88630000000E-02 4.9150780000 0.30540000000E-01 }) (type: [am = s] {exp coef:0} = { 1.7949240000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.71071600000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.30480200000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.13804600000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.62157000000E-01 1.0000000000 }) (type: [am = p] {exp coef:0} = { 8.6490000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 3.4300000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 1.3600000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.53900000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.21400000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 4.4530000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.9580000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.86100000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.37800000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 4.1000000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.7800000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.77300000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 3.1990000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.3260000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 2.6530000000 1.0000000000 }) ] % % BASIS SET: (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h] helium: "cc-pV6Z": [ (type: [am = s] {exp coef:0} = { 4785.0000000 0.60000000000E-06 717.00000000 0.47000000000E-05 163.20000000 0.24400000000E-04 46.260000000 0.10120000000E-03 15.100000000 0.34860000000E-03 }) (type: [am = s] {exp coef:0} = { 5.4370000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 2.0880000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.82970000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.33660000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.13690000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.38700000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.98400000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 2.4980000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 6.3420000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 16.104000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.74700000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.9100000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 4.8860000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 12.498000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.2920000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 3.4620000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 9.2760000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 2.2360000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 6.5860000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 4.1590000000 1.0000000000 }) ] % % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] boron: "cc-pV6Z": [ (type: [am = s am = s] {exp coef:0 coef:1} = { 210400.00000 0.58300000000E-05 -0.11800000000E-05 31500.000000 0.45320000000E-04 -0.91500000000E-05 7169.0000000 0.23838000000E-03 -0.48190000000E-04 2030.0000000 0.10057000000E-02 -0.20306000000E-03 662.50000000 0.36449600000E-02 -0.73917000000E-03 239.20000000 0.11736280000E-01 -0.23860300000E-02 93.260000000 0.33807020000E-01 -0.69865400000E-02 38.640000000 0.85565930000E-01 -0.18115940000E-01 16.780000000 0.18260322000 -0.41231290000E-01 7.5410000000 0.30583760000 -0.77813530000E-01 3.4820000000 0.34080347000 -0.12123181000 }) (type: [am = s] {exp coef:0} = { 1.6180000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.62700000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.29340000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.13100000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.58150000000E-01 1.0000000000 }) (type: [am = p] {exp coef:0} = { 192.50000000 0.13490000000E-03 45.640000000 0.11474100000E-02 14.750000000 0.58479300000E-02 5.5030000000 0.21170910000E-01 2.2220000000 0.62668720000E-01 }) (type: [am = p] {exp coef:0} = { 0.95900000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.43140000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.19690000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.90330000000E-01 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.40660000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.8860000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.2670000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.55600000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.24400000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.10700000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.6510000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.80020000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.38780000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.18800000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.6469000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.78890000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.37790000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.3120000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.58060000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 0.98470000000 1.0000000000 }) ] % % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] carbon: "cc-pV6Z": [ (type: [am = s am = s] {exp coef:0 coef:1} = { 312100.00000 0.56700000000E-05 -0.12100000000E-05 46740.000000 0.44100000000E-04 -0.93900000000E-05 10640.000000 0.23190000000E-03 -0.49470000000E-04 3013.0000000 0.97897000000E-03 -0.20857000000E-03 982.80000000 0.35516300000E-02 -0.76015000000E-03 354.80000000 0.11440610000E-01 -0.24546900000E-02 138.40000000 0.32998550000E-01 -0.72015300000E-02 57.350000000 0.84053470000E-01 -0.18807420000E-01 24.920000000 0.18067613000 -0.43250010000E-01 11.230000000 0.30491140000 -0.82597330000E-01 5.2010000000 0.34141570000 -0.12857592000 }) (type: [am = s] {exp coef:0} = { 2.4260000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.96730000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.44560000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.19710000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.86350000000E-01 1.0000000000 }) (type: [am = p] {exp coef:0} = { 295.20000000 0.14249000000E-03 69.980000000 0.12201000000E-02 22.640000000 0.63369600000E-02 8.4850000000 0.23518750000E-01 3.4590000000 0.69904470000E-01 }) (type: [am = p] {exp coef:0} = { 1.5040000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.67830000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.30870000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.14000000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.61780000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 4.5420000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.9790000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.86210000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.37560000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.16360000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 2.6310000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.2550000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.59880000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.28570000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 2.6520000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.2040000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.54700000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 2.0300000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.85110000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 1.4910000000 1.0000000000 }) ] % % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] nitrogen: "cc-pV6Z": [ (type: [am = s am = s] {exp coef:0 coef:1} = { 432300.00000 0.55900000000E-05 -0.12300000000E-05 64700.000000 0.43510000000E-04 -0.95800000000E-05 14720.000000 0.22893000000E-03 -0.50510000000E-04 4170.0000000 0.96502000000E-03 -0.21264000000E-03 1361.0000000 0.35021900000E-02 -0.77534000000E-03 491.20000000 0.11292120000E-01 -0.25062400000E-02 191.60000000 0.32612830000E-01 -0.73652900000E-02 79.410000000 0.83297270000E-01 -0.19301670000E-01 34.530000000 0.17998566000 -0.44717380000E-01 15.580000000 0.30500351000 -0.86066470000E-01 7.2320000000 0.34115932000 -0.13329627000 }) (type: [am = s] {exp coef:0} = { 3.3820000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 1.3690000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.62480000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.27470000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.11920000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 415.90000000 0.14841000000E-03 98.610000000 0.12763400000E-02 31.920000000 0.67024200000E-02 12.000000000 0.25261700000E-01 4.9190000000 0.75189430000E-01 }) (type: [am = p] {exp coef:0} = { 2.1480000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.96960000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.43990000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.19780000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.86030000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 6.7170000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.8960000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.2490000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.53800000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.23200000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 3.8290000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.7950000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.84100000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.39400000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 3.8560000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.7020000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.75100000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 2.8750000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.1700000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 2.0990000000 1.0000000000 }) ] % % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] oxygen: "cc-pV6Z": [ (type: [am = s am = s] {exp coef:0 coef:1} = { 570800.00000 0.55500000000E-05 -0.12600000000E-05 85480.000000 0.43110000000E-04 -0.97700000000E-05 19460.000000 0.22667000000E-03 -0.51480000000E-04 5512.0000000 0.95637000000E-03 -0.21696000000E-03 1798.0000000 0.34732000000E-02 -0.79162000000E-03 648.90000000 0.11197780000E-01 -0.25590000000E-02 253.10000000 0.32387660000E-01 -0.75331300000E-02 104.90000000 0.82859770000E-01 -0.19788970000E-01 45.650000000 0.17958381000 -0.46062880000E-01 20.620000000 0.30522110000 -0.89195600000E-01 9.5870000000 0.34089349000 -0.13754216000 }) (type: [am = s] {exp coef:0} = { 4.4930000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 1.8370000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.83490000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.36580000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.15700000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 525.60000000 0.16664000000E-03 124.60000000 0.14333600000E-02 40.340000000 0.75476200000E-02 15.180000000 0.28594560000E-01 6.2450000000 0.84388580000E-01 }) (type: [am = p] {exp coef:0} = { 2.7320000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 1.2270000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.54920000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.24180000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.10250000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 8.2530000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 3.5970000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.5680000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.68400000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.29800000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 5.4300000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 2.4160000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.0750000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.47800000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 5.2110000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 2.1900000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.92000000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 3.8720000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.5050000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 2.7730000000 1.0000000000 }) ] % % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] fluorine: "cc-pV6Z": [ (type: [am = s am = s] {exp coef:0 coef:1} = { 723500.00000 0.55600000000E-05 -0.12900000000E-05 108400.00000 0.43180000000E-04 -0.99900000000E-05 24680.000000 0.22700000000E-03 -0.52600000000E-04 6990.0000000 0.95803000000E-03 -0.22172000000E-03 2282.0000000 0.34701500000E-02 -0.80692000000E-03 824.60000000 0.11185260000E-01 -0.26081700000E-02 321.80000000 0.32328800000E-01 -0.76740200000E-02 133.50000000 0.82795450000E-01 -0.20193530000E-01 58.110000000 0.17988024000 -0.47187520000E-01 26.280000000 0.30557831000 -0.91580090000E-01 12.240000000 0.34026839000 -0.14048558000 }) (type: [am = s] {exp coef:0} = { 5.7470000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 2.3650000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 1.0710000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.46810000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.19940000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 660.00000000 0.17721000000E-03 156.40000000 0.15269100000E-02 50.640000000 0.80720700000E-02 19.080000000 0.30740210000E-01 7.8720000000 0.90119140000E-01 }) (type: [am = p] {exp coef:0} = { 3.4490000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 1.5450000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.68640000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.29860000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.12450000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 10.573000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 4.6130000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.0130000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.87800000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.38300000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 7.5630000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 3.3300000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.4660000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.64500000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 6.7350000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 2.7830000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.1500000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 5.0880000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.9370000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 3.5810000000 1.0000000000 }) ] % % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] neon: "cc-pV6Z": [ (type: [am = s am = s] {exp coef:0 coef:1} = { 902400.00000 0.55100000000E-05 -0.12900000000E-05 135100.00000 0.42820000000E-04 -0.10050000000E-04 30750.000000 0.22514000000E-03 -0.52930000000E-04 8710.0000000 0.95016000000E-03 -0.22312000000E-03 2842.0000000 0.34471900000E-02 -0.81338000000E-03 1026.0000000 0.11125450000E-01 -0.26323000000E-02 400.10000000 0.32205680000E-01 -0.77591000000E-02 165.90000000 0.82598910000E-01 -0.20452770000E-01 72.210000000 0.17990564000 -0.47975050000E-01 32.660000000 0.30605208000 -0.93400860000E-01 15.220000000 0.34012559000 -0.14277215000 }) (type: [am = s] {exp coef:0} = { 7.1490000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 2.9570000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 1.3350000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.58160000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.24630000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 815.60000000 0.18376000000E-03 193.30000000 0.15850900000E-02 62.600000000 0.84146400000E-02 23.610000000 0.32200330000E-01 9.7620000000 0.93963900000E-01 }) (type: [am = p] {exp coef:0} = { 4.2810000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 1.9150000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.84760000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.36600000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.15100000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 13.317000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 5.8030000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.5290000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.1020000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.48000000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 10.356000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 4.5380000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.9890000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.87100000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 8.3450000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 3.4170000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.3990000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 6.5190000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 2.4470000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 4.4890000000 1.0000000000 }) ] aluminum: "cc-pV6Z": [ (type: [am = s am = s am = s] {exp coef:0 coef:1 coef:2} = { 3652000.0000 0.19000000000E-05 -0.50000000000E-06 0.10000000000E-06 546800.00000 0.14500000000E-04 -0.38000000000E-05 0.90000000000E-06 124500.00000 0.76200000000E-04 -0.19800000000E-04 0.46000000000E-05 35440.000000 0.31580000000E-03 -0.82100000000E-04 0.19000000000E-04 11840.000000 0.10974000000E-02 -0.28580000000E-03 0.65900000000E-04 4434.0000000 0.33697000000E-02 -0.87850000000E-03 0.20310000000E-03 1812.0000000 0.93222000000E-02 -0.24482000000E-02 0.56470000000E-03 791.50000000 0.23799200000E-01 -0.63100000000E-02 0.14620000000E-02 361.00000000 0.56819100000E-01 -0.15485400000E-01 0.35794000000E-02 169.50000000 0.12246800000 -0.34958900000E-01 0.81516000000E-02 81.680000000 0.22389700000 -0.70772900000E-01 0.16527600000E-01 40.280000000 0.31344600000 -0.11942300000 0.28546700000E-01 20.250000000 0.27497500000 -0.14884200000 0.36148400000E-01 10.230000000 0.11056400000 -0.59046500000E-01 0.15380400000E-01 4.8020000000 0.11921500000E-01 0.21669300000 -0.61214100000E-01 2.3390000000 0.65280000000E-03 0.47655700000 -0.15126300000 }) (type: [am = s] {exp coef:0} = { 1.1630000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.58820000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.23110000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.10270000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.45210000000E-01 1.0000000000 }) (type: [am = p am = p] {exp coef:0 coef:1} = { 2884.0000000 0.63800000000E-04 -0.80000000000E-05 683.20000000 0.56310000000E-03 -0.65100000000E-04 222.00000000 0.31691000000E-02 -0.39990000000E-03 84.820000000 0.13240100000E-01 -0.15369000000E-02 35.810000000 0.43340300000E-01 -0.55644000000E-02 16.220000000 0.11195000000 -0.13110600000E-01 7.7020000000 0.21779600000 -0.29720000000E-01 3.7410000000 0.31167500000 -0.34719500000E-01 1.8310000000 0.31672200000 -0.55162100000E-01 }) (type: [am = p] {exp coef:0} = { 0.88780000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.39890000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.17180000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.72980000000E-01 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.30690000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.2143000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.94490000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.40320000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.17210000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.73430000000E-01 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.87560000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.44720000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.22840000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.11670000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.69520000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.37710000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.20460000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.65600000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.33000000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 0.53020000000 1.0000000000 }) ] % % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] silicon: "cc-pV6Z": [ (type: [am = s am = s am = s] {exp coef:0 coef:1 coef:2} = { 4465000.0000 0.17000000000E-05 -0.50000000000E-06 0.10000000000E-06 668500.00000 0.13600000000E-04 -0.36000000000E-05 0.90000000000E-06 152200.00000 0.71400000000E-04 -0.19000000000E-04 0.49000000000E-05 43300.000000 0.29730000000E-03 -0.79100000000E-04 0.20300000000E-04 14410.000000 0.10383000000E-02 -0.27690000000E-03 0.70900000000E-04 5394.0000000 0.31747000000E-02 -0.84720000000E-03 0.21720000000E-03 2212.0000000 0.87324000000E-02 -0.23478000000E-02 0.60130000000E-03 968.10000000 0.22383000000E-01 -0.60705000000E-02 0.15591000000E-02 441.20000000 0.53727300000E-01 -0.14971100000E-01 0.38443000000E-02 207.10000000 0.11664900000 -0.33972900000E-01 0.87797000000E-02 99.800000000 0.21597800000 -0.69458400000E-01 0.18038800000E-01 49.240000000 0.30956600000 -0.11900100000 0.31522400000E-01 24.740000000 0.28394500000 -0.15364500000 0.41690500000E-01 12.470000000 0.12223200000 -0.70468400000E-01 0.20097300000E-01 5.7950000000 0.14195200000E-01 0.21314900000 -0.66748400000E-01 2.8300000000 0.31210000000E-03 0.49159600000 -0.18190600000 }) (type: [am = s] {exp coef:0} = { 1.4070000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.69950000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.30830000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.13850000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.61450000000E-01 1.0000000000 }) (type: [am = p am = p] {exp coef:0 coef:1} = { 3572.0000000 0.59900000000E-04 -0.12800000000E-04 846.00000000 0.52960000000E-03 -0.11260000000E-03 274.80000000 0.29958000000E-02 -0.64020000000E-03 105.00000000 0.12633500000E-01 -0.27029000000E-02 44.350000000 0.41904400000E-01 -0.90789000000E-02 20.080000000 0.11025900000 -0.24234800000E-01 9.5300000000 0.21883100000 -0.49346000000E-01 4.6340000000 0.31782800000 -0.72585900000E-01 2.2800000000 0.31942500000 -0.80425800000E-01 }) (type: [am = p] {exp coef:0} = { 1.1160000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.49910000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.22540000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.10010000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.43320000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 3.2386000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.3767000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.58530000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.24880000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.10580000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.3510000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.66000000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.32250000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.15750000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.85280000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.46310000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.25150000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.85570000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.42310000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 0.69460000000 1.0000000000 }) ] % % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] phosphorus: "cc-pV6Z": [ (type: [am = s am = s am = s] {exp coef:0 coef:1 coef:2} = { 5384000.0000 0.16000000000E-05 -0.40000000000E-06 0.10000000000E-06 806200.00000 0.12800000000E-04 -0.35000000000E-05 0.10000000000E-05 183600.00000 0.67200000000E-04 -0.18300000000E-04 0.50000000000E-05 52250.000000 0.27970000000E-03 -0.75900000000E-04 0.20900000000E-04 17390.000000 0.97670000000E-03 -0.26570000000E-03 0.73000000000E-04 6523.0000000 0.29684000000E-02 -0.80800000000E-03 0.22210000000E-03 2687.0000000 0.81240000000E-02 -0.22273000000E-02 0.61220000000E-03 1178.0000000 0.20920000000E-01 -0.57833000000E-02 0.15918000000E-02 536.20000000 0.50559000000E-01 -0.14343800000E-01 0.39534000000E-02 251.50000000 0.11047900000 -0.32706100000E-01 0.90572000000E-02 121.30000000 0.20695700000 -0.67371600000E-01 0.18790900000E-01 59.880000000 0.30473700000 -0.11764700000 0.33383100000E-01 30.050000000 0.29295200000 -0.15728000000 0.45948400000E-01 15.120000000 0.13556100000 -0.83854400000E-01 0.25524000000E-01 7.0100000000 0.17320800000E-01 0.19971800000 -0.66949600000E-01 3.4410000000 -0.35200000000E-04 0.49860500000 -0.20364500000 }) (type: [am = s] {exp coef:0} = { 1.7120000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.83370000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.39120000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.17770000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.79390000000E-01 1.0000000000 }) (type: [am = p am = p] {exp coef:0 coef:1} = { 4552.0000000 0.52000000000E-04 -0.12400000000E-04 1078.0000000 0.46040000000E-03 -0.10940000000E-03 350.10000000 0.26208000000E-02 -0.62560000000E-03 133.80000000 0.11187300000E-01 -0.26734000000E-02 56.520000000 0.37822900000E-01 -0.91552000000E-02 25.580000000 0.10211600000 -0.25099300000E-01 12.140000000 0.21031400000 -0.53181000000E-01 5.9020000000 0.31738300000 -0.81588800000E-01 2.9100000000 0.32716500000 -0.91972500000E-01 }) (type: [am = p] {exp coef:0} = { 1.4350000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.65700000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.30050000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.13400000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.57830000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 4.3008000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.8346000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.78260000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.33390000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.14240000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.8160000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.88060000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.42700000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.20700000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.0616000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.57910000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.31590000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.0850000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.52770000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 0.88900000000 1.0000000000 }) ] % % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] sulfur: "cc-pV6Z": [ (type: [am = s am = s am = s] {exp coef:0 coef:1 coef:2} = { 6297000.0000 0.16000000000E-05 -0.40000000000E-06 0.10000000000E-06 943100.00000 0.12400000000E-04 -0.34000000000E-05 0.10000000000E-05 214900.00000 0.64900000000E-04 -0.17900000000E-04 0.52000000000E-05 61250.000000 0.26930000000E-03 -0.74400000000E-04 0.21600000000E-04 20450.000000 0.93470000000E-03 -0.25870000000E-03 0.75100000000E-04 7719.0000000 0.28083000000E-02 -0.77770000000E-03 0.22580000000E-03 3198.0000000 0.76740000000E-02 -0.21396000000E-02 0.62170000000E-03 1402.0000000 0.19889800000E-01 -0.55906000000E-02 0.16251000000E-02 637.20000000 0.48258900000E-01 -0.13907600000E-01 0.40535000000E-02 298.90000000 0.10575700000 -0.31768900000E-01 0.92902000000E-02 144.30000000 0.20022300000 -0.65930200000E-01 0.19456100000E-01 71.210000000 0.30072800000 -0.11683200000 0.35004000000E-01 35.730000000 0.29868800000 -0.15978700000 0.49489700000E-01 17.970000000 0.14634700000 -0.94532200000E-01 0.30344300000E-01 8.3410000000 0.20115900000E-01 0.18782800000 -0.66366100000E-01 4.1120000000 -0.24880000000E-03 0.50468300000 -0.22315400000 }) (type: [am = s] {exp coef:0} = { 2.0450000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.97700000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.47660000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.21850000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.97590000000E-01 1.0000000000 }) (type: [am = p am = p] {exp coef:0 coef:1} = { 5266.0000000 0.52300000000E-04 -0.13300000000E-04 1247.0000000 0.46350000000E-03 -0.11790000000E-03 405.00000000 0.26410000000E-02 -0.67590000000E-03 154.80000000 0.11316900000E-01 -0.28973000000E-02 65.380000000 0.38470400000E-01 -0.99980000000E-02 29.590000000 0.10433900000 -0.27541600000E-01 14.040000000 0.21568400000 -0.58794300000E-01 6.8240000000 0.32526000000 -0.90376100000E-01 3.3690000000 0.32617800000 -0.99989100000E-01 }) (type: [am = p] {exp coef:0} = { 1.6660000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.76810000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.35040000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.15560000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.66810000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 5.0755000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.1833000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.93920000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.40400000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.17380000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.3222000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.73190000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.40510000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.22430000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.3473000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.70090000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.36470000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.2861000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.61150000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 1.0409000000 1.0000000000 }) ] % % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] chlorine: "cc-pV6Z": [ (type: [am = s am = s am = s] {exp coef:0 coef:1 coef:2} = { 7733000.0000 0.14347400000E-05 -0.40222700000E-06 0.12169600000E-06 1158000.0000 0.11148600000E-04 -0.31244800000E-05 0.94514100000E-06 263700.00000 0.58586500000E-04 -0.16429000000E-04 0.49711900000E-05 75010.000000 0.24451800000E-03 -0.68542100000E-04 0.20732300000E-04 24890.000000 0.85828700000E-03 -0.24100100000E-03 0.72940200000E-04 9318.0000000 0.26101900000E-02 -0.73353800000E-03 0.22189900000E-03 3840.0000000 0.71378400000E-02 -0.20183000000E-02 0.61135500000E-03 1684.0000000 0.18456400000E-01 -0.52610700000E-02 0.15933700000E-02 766.30000000 0.44894400000E-01 -0.13098600000E-01 0.39800100000E-02 359.50000000 0.99382200000E-01 -0.30179400000E-01 0.91937500000E-02 173.40000000 0.19078200000 -0.63188800000E-01 0.19439900000E-01 85.610000000 0.29356500000 -0.11385900000 0.35518700000E-01 42.930000000 0.30647700000 -0.16125100000 0.52067400000E-01 21.550000000 0.16220900000 -0.10923400000 0.36564400000E-01 10.050000000 0.24938300000E-01 0.16299900000 -0.59750000000E-01 4.9780000000 -0.51314200000E-03 0.50141300000 -0.23164100000 }) (type: [am = s] {exp coef:0} = { 2.4780000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 1.1800000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.58280000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.26680000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.11830000000 1.0000000000 }) (type: [am = p am = p] {exp coef:0 coef:1} = { 6091.0000000 0.51619400000E-04 -0.13925900000E-04 1442.0000000 0.45846800000E-03 -0.12332400000E-03 468.30000000 0.26150900000E-02 -0.70755100000E-03 179.00000000 0.11255400000E-01 -0.30493900000E-02 75.610000000 0.38457700000E-01 -0.10575200000E-01 34.220000000 0.10508100000 -0.29409400000E-01 16.230000000 0.21860300000 -0.63229600000E-01 7.8900000000 0.33087400000 -0.98187000000E-01 3.8980000000 0.32587900000 -0.10587000000 }) (type: [am = p] {exp coef:0} = { 1.9330000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.90570000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.41400000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.18360000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.78590000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 6.2428000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 2.6906000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.1596000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.49980000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.21540000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 2.5327000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.2406000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.60770000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.29770000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.5388000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.80500000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.42120000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.5613000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.73970000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 1.2572000000 1.0000000000 }) ] % % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] argon: "cc-pV6Z": [ (type: [am = s am = s am = s] {exp coef:0 coef:1 coef:2} = { 9149000.0000 0.13000000000E-05 -0.40000000000E-06 0.10000000000E-06 1370000.0000 0.10400000000E-04 -0.30000000000E-05 0.90000000000E-06 311900.00000 0.54900000000E-04 -0.15600000000E-04 0.49000000000E-05 88650.000000 0.22960000000E-03 -0.65200000000E-04 0.20400000000E-04 29330.000000 0.81030000000E-03 -0.23040000000E-03 0.72000000000E-04 10930.000000 0.24853000000E-02 -0.70750000000E-03 0.22100000000E-03 4480.0000000 0.68369000000E-02 -0.19573000000E-02 0.61250000000E-03 1962.0000000 0.17619900000E-01 -0.50856000000E-02 0.15908000000E-02 894.10000000 0.42875200000E-01 -0.12652800000E-01 0.39722000000E-02 419.60000000 0.95485300000E-01 -0.29306500000E-01 0.92204000000E-02 202.30000000 0.18506400000 -0.61771200000E-01 0.19636700000E-01 99.840000000 0.28904200000 -0.11254100000 0.36257000000E-01 50.070000000 0.31016600000 -0.16229300000 0.54172500000E-01 25.140000000 0.17218300000 -0.11841200000 0.40999600000E-01 11.810000000 0.28522700000E-01 0.14614800000 -0.55174400000E-01 5.8820000000 -0.57570000000E-03 0.49775200000 -0.23875400000 }) (type: [am = s] {exp coef:0} = { 2.9390000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 1.4050000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.69630000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.31880000000 1.0000000000 }) (type: [am = s] {exp coef:0} = { 0.14100000000 1.0000000000 }) (type: [am = p am = p] {exp coef:0 coef:1} = { 7050.0000000 0.50200000000E-04 -0.14000000000E-04 1669.0000000 0.44540000000E-03 -0.12430000000E-03 542.10000000 0.25480000000E-02 -0.71470000000E-03 207.10000000 0.11015500000E-01 -0.30968000000E-02 87.520000000 0.37849000000E-01 -0.10796100000E-01 39.610000000 0.10435500000 -0.30353600000E-01 18.780000000 0.21933500000 -0.65978500000E-01 9.1300000000 0.33461500000 -0.10387700000 4.5160000000 0.32677100000 -0.10995600000 }) (type: [am = p] {exp coef:0} = { 2.2450000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 1.0650000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.48850000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.21660000000 1.0000000000 }) (type: [am = p] {exp coef:0} = { 0.92550000000E-01 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 7.6327000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 3.2876000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 1.4160000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.60990000000 1.0000000000 }) (type: [(am = d puream = 1)] {exp coef:0} = { 0.26270000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 3.0582000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 1.5292000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.76470000000 1.0000000000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 0.38240000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.8450000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.96570000000 1.0000000000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 0.50550000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 1.8743000000 1.0000000000 }) (type: [(am = h puream = 1)] {exp coef:0} = { 0.88710000000 1.0000000000 }) (type: [(am = i puream = 1)] {exp coef:0} = { 1.5066000000 1.0000000000 }) ] )