%BASIS "DZ (Dunning)" CARTESIAN basis:( %T.H. DUNNING, JR., J. CHEM. PHYS. 53, 2823 (1970). % T.H. DUNNING, JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY, % VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). % % % BASIS SET: (4s) -> [2s] hydrogen: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 19.240600000 0.03282800 2.899200000 0.23120800 0.653400000 0.81723800 }) (type: [am = s] {exp coef:0} = { 0.177600000 1.00000000 }) ] % % BASIS SET: (9s,4p) -> [4s,2p] lithium: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 921.300000000 0.00136700 138.700000000 0.01042500 31.940000000 0.04985900 9.353000000 0.16070100 3.158000000 0.34460400 1.157000000 0.42519700 }) (type: [am = s] {exp coef:0} = { 0.444600000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.076660000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.028640000 1.00000000 }) (type: [am = p] {exp coef:0} = { 1.488000000 0.03877000 0.266700000 0.23625700 0.072010000 0.83044800 }) (type: [am = p] {exp coef:0} = { 0.023700000 1.00000000 }) ] % % BASIS SET: (9s,5p) -> [4s,2p] boron: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 2788.410000000 0.00212200 419.039000000 0.01617100 96.468300000 0.07835600 28.069400000 0.26325000 9.376000000 0.59672900 1.305700000 0.23039700 }) (type: [am = s] {exp coef:0} = { 3.406200000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.324500000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.102200000 1.00000000 }) (type: [am = p] {exp coef:0} = { 11.341300000 0.01798700 2.436000000 0.11033900 0.683600000 0.38311100 0.213400000 0.64786000 }) (type: [am = p] {exp coef:0} = { 0.070100000 1.00000000 }) ] % % BASIS SET: (9s,5p) -> [4s,2p] carbon: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 4232.610000000 0.00202900 634.882000000 0.01553500 146.097000000 0.07541100 42.497400000 0.25712100 14.189200000 0.59655500 1.966600000 0.24251700 }) (type: [am = s] {exp coef:0} = { 5.147700000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.496200000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.153300000 1.00000000 }) (type: [am = p] {exp coef:0} = { 18.155700000 0.01853400 3.986400000 0.11544200 1.142900000 0.38620600 0.359400000 0.64008900 }) (type: [am = p] {exp coef:0} = { 0.114600000 1.00000000 }) ] % % BASIS SET: (9s,5p) -> [4s,2p] nitrogen: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 5909.440000000 0.00200400 887.451000000 0.01531000 204.749000000 0.07429300 59.837600000 0.25336400 19.998100000 0.60057600 2.686000000 0.24511100 }) (type: [am = s] {exp coef:0} = { 7.192700000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.700000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.213300000 1.00000000 }) (type: [am = p] {exp coef:0} = { 26.786000000 0.01825700 5.956400000 0.11640700 1.707400000 0.39011100 0.531400000 0.63722100 }) (type: [am = p] {exp coef:0} = { 0.165400000 1.00000000 }) ] % % BASIS SET: (9s,5p) -> [4s,2p] oxygen: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 7816.540000000 0.00203100 1175.820000000 0.01543600 273.188000000 0.07377100 81.169600000 0.24760600 27.183600000 0.61183200 3.413600000 0.24120500 }) (type: [am = s] {exp coef:0} = { 9.532200000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.939800000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.284600000 1.00000000 }) (type: [am = p] {exp coef:0} = { 35.183200000 0.01958000 7.904000000 0.12418900 2.305100000 0.39472700 0.717100000 0.62737500 }) (type: [am = p] {exp coef:0} = { 0.213700000 1.00000000 }) ] % % BASIS SET: (9s,5p) -> [4s,2p] fluorine: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 9994.790000000 0.00201700 1506.030000000 0.01529500 350.269000000 0.07311000 104.053000000 0.24642000 34.843200000 0.61259300 4.368800000 0.24248900 }) (type: [am = s] {exp coef:0} = { 12.216400000 1.00000000 }) (type: [am = s] {exp coef:0} = { 1.207800000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.363400000 1.00000000 }) (type: [am = p] {exp coef:0} = { 44.355500000 0.02086800 10.082000000 0.13009200 2.995900000 0.39621900 0.938300000 0.62036800 }) (type: [am = p] {exp coef:0} = { 0.273300000 1.00000000 }) ] % % BASIS SET: (9s,5p) -> [4s,2p] neon: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 12100.000000000 0.00120000 1821.000000000 0.00909200 432.800000000 0.04130500 132.500000000 0.13786700 43.770000000 0.36243300 14.910000000 0.47224700 5.127000000 0.13003500 }) (type: [am = s] {exp coef:0} = { 14.910000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 1.491000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.446800000 1.00000000 }) (type: [am = p] {exp coef:0} = { 56.450000000 0.02087500 12.920000000 0.13003200 3.865000000 0.39567900 1.203000000 0.62145000 }) (type: [am = p] {exp coef:0} = { 0.344400000 1.00000000 }) ] % % BASIS SET: (11s,7p) -> [6s,4p] aluminum: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 23490.000000000 0.00250900 3548.000000000 0.01898600 823.500000000 0.09291400 237.700000000 0.33593500 78.600000000 0.64739100 }) (type: [am = s] {exp coef:0} = { 78.600000000 0.11193700 29.050000000 0.65597600 11.620000000 0.28334900 }) (type: [am = s] {exp coef:0} = { 3.465000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 1.233000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.201800000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.078050000 1.00000000 }) (type: [am = p] {exp coef:0} = { 141.500000000 0.01788200 33.220000000 0.12037500 10.390000000 0.41158000 3.593000000 0.59535300 }) (type: [am = p] {exp coef:0} = { 3.593000000 0.21175800 1.242000000 0.83779500 }) (type: [am = p] {exp coef:0} = { 0.304000000 1.00000000 }) (type: [am = p] {exp coef:0} = { 0.076290000 1.00000000 }) ] % % BASIS SET: (11s,7p) -> [6s,4p] silicon: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 26740.000000000 0.00258300 4076.000000000 0.01923700 953.300000000 0.09384300 274.600000000 0.34123500 90.680000000 0.64167500 }) (type: [am = s] {exp coef:0} = { 90.680000000 0.12143900 33.530000000 0.65314300 13.460000000 0.27762400 }) (type: [am = s] {exp coef:0} = { 4.051000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 1.484000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.270400000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.099320000 1.00000000 }) (type: [am = p] {exp coef:0} = { 163.700000000 0.01149800 38.350000000 0.07772600 12.020000000 0.26359500 4.185000000 0.75826900 }) (type: [am = p] {exp coef:0} = { 4.185000000 -1.17304500 1.483000000 1.43833500 }) (type: [am = p] {exp coef:0} = { 0.335000000 1.00000000 }) (type: [am = p] {exp coef:0} = { 0.096990000 1.00000000 }) ] % % BASIS SET: (11s,7p) -> [6s,4p] phosphorus: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 30630.000000000 0.00261900 4684.000000000 0.01947900 1094.000000000 0.09520700 315.300000000 0.34574200 104.100000000 0.63628800 }) (type: [am = s] {exp coef:0} = { 104.100000000 0.13070600 38.420000000 0.65027400 15.450000000 0.27230800 }) (type: [am = s] {exp coef:0} = { 4.656000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 1.759000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.340900000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.123800000 1.00000000 }) (type: [am = p] {exp coef:0} = { 187.700000000 0.01315800 43.630000000 0.09049400 13.600000000 0.30505400 4.766000000 0.71357900 }) (type: [am = p] {exp coef:0} = { 4.766000000 -0.79257300 1.743000000 1.42998700 }) (type: [am = p] {exp coef:0} = { 0.419200000 1.00000000 }) (type: [am = p] {exp coef:0} = { 0.124500000 1.00000000 }) ] % % BASIS SET: (11s,7p) -> [6s,4p] sulfur: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 35710.000000000 0.00256500 5397.000000000 0.01940500 1250.000000000 0.09559500 359.900000000 0.34579300 119.200000000 0.63579400 }) (type: [am = s] {exp coef:0} = { 119.200000000 0.13009600 43.980000000 0.65130100 17.630000000 0.27195500 }) (type: [am = s] {exp coef:0} = { 5.420000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 2.074000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.424600000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.151900000 1.00000000 }) (type: [am = p] {exp coef:0} = { 212.900000000 0.01409100 49.600000000 0.09668500 15.520000000 0.32387400 5.476000000 0.69175600 }) (type: [am = p] {exp coef:0} = { 5.476000000 -0.62673700 2.044000000 1.37705100 }) (type: [am = p] {exp coef:0} = { 0.521800000 1.00000000 }) (type: [am = p] {exp coef:0} = { 0.150600000 1.00000000 }) ] % % BASIS SET: (11s,7p) -> [6s,4p] chlorine: "DZ (Dunning)": [ (type: [am = s] {exp coef:0} = { 40850.000000000 0.00253200 6179.000000000 0.01920700 1425.000000000 0.09525700 409.200000000 0.34558900 135.500000000 0.63640100 }) (type: [am = s] {exp coef:0} = { 135.500000000 0.12095600 50.130000000 0.64851100 20.210000000 0.27548700 }) (type: [am = s] {exp coef:0} = { 6.283000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 2.460000000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.527100000 1.00000000 }) (type: [am = s] {exp coef:0} = { 0.188400000 1.00000000 }) (type: [am = p] {exp coef:0} = { 240.800000000 0.01459500 56.560000000 0.09904700 17.850000000 0.33046200 6.350000000 0.68287400 }) (type: [am = p] {exp coef:0} = { 6.350000000 -0.56178500 2.403000000 1.35190100 }) (type: [am = p] {exp coef:0} = { 0.641000000 1.00000000 }) (type: [am = p] {exp coef:0} = { 0.183800000 1.00000000 }) ] )