basis h_cc-pvdz-uncon h s 13.01000000 0.01968500 h s 1.96200000 0.13797700 h s 0.44460000 0.47814800 h s 0.12200000 0.50124000 h s 0.12200000 1.00000000 h p 0.72700000 1.00000000 end # d fn from most diffuse p*p basis h_cc-pvdz-uncon-d h s 13.01000000 0.01968500 h s 1.96200000 0.13797700 h s 0.44460000 0.47814800 h s 0.12200000 0.50124000 h s 0.12200000 1.00000000 h p 0.72700000 1.00000000 h d 1.454 1.0 end # p fn from most diffuse p*p # d fn from most diffuse p*p basis h_cc-pvdz-uncon-pd h s 13.01000000 0.01968500 h s 1.96200000 0.13797700 h s 0.44460000 0.47814800 h s 0.12200000 0.50124000 h s 0.12200000 1.00000000 h p 0.72700000 1.00000000 h p 1.454 1.0 h d 1.454 1.0 end # p fn from most diffuse p*p # d fn from most diffuse p*p # p fn from tighest s*p basis h_cc-pvdz-uncon-2pd h s 13.01000000 0.01968500 h s 1.96200000 0.13797700 h s 0.44460000 0.47814800 h s 0.12200000 0.50124000 h s 0.12200000 1.00000000 h p 0.72700000 1.00000000 h p 1.454 1.0 h d 1.454 1.0 h p 13.737 1.0 end # p fn from most diffuse p*p # d fn from most diffuse p*p # s fn from tighest s*s basis h_cc-pvdz-uncon-spd h s 13.01000000 0.01968500 h s 1.96200000 0.13797700 h s 0.44460000 0.47814800 h s 0.12200000 0.50124000 h s 0.12200000 1.00000000 h p 0.72700000 1.00000000 h p 1.454 1.0 h d 1.454 1.0 h s 26.02 1.0 end basis c_cc-pvdz-uncon c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 end # d fn from most diffuse p*p # f fn from most diffuse d*d basis c_cc-pvdz-uncon-df c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 c d 0.3034 1.0 c f 1.1 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # d fn from tighest p*p basis c_cc-pvdz-uncon-2df c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 c d 0.3034 1.0 c f 1.1 1.0 c d 18.878 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # d fn from most diffuse d*d basis c_cc-pvdz-uncon-2df-a c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 c d 0.3034 1.0 c f 1.1 1.0 c d 1.1 1.0 end # d fn from first three most significant p*p # f fn from most diffuse d*d basis c_cc-pvdz-uncon-3df-a c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 c d 0.3034 1.0 c f 1.1 1.0 c d 1.1 1.0 c d 2.5476 1.0 end # s & p half of most diffuse exponents # d fn from first three most significant p*p # f fn from most diffuse d*d basis c_cc-pvdz-uncon-sp3df-a c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 c d 0.3034 1.0 c f 1.1 1.0 c d 1.1 1.0 c d 2.5476 1.0 c s 0.08 1.0 c p 0.075 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # s fn from tightest s*s # p fn from tightest p*p basis c_cc-pvdz-uncon-spdf c s 6665.00000000 0.00069200 c s 1000.00000000 0.00532900 c s 228.00000000 0.02707700 c s 64.71000000 0.10171800 c s 21.06000000 0.27474000 c s 7.49500000 0.44856400 c s 2.79700000 0.28507400 c s 0.52150000 0.01520400 c s 0.15960000 -0.00319100 c p 9.43900000 0.03810900 c p 2.00200000 0.20948000 c p 0.54560000 0.50855700 c p 0.15170000 0.46884200 c d 0.55000000 1.00000000 c d 0.3034 1.0 c f 1.1 1.0 c s 13330.0 1.0 c p 18.878 1.0 end basis o_cc-pvdz-uncon o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 end # d fn from most diffuse p*p # f fn from most diffuse d*d basis o_cc-pvdz-uncon-df o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 o d 0.5506 1.0 o f 2.370 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # d fn from tighest p*p basis o_cc-pvdz-uncon-2df o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 o d 0.5506 1.0 o f 2.370 1.0 o d 35.4 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # d fn from most diffuse d*d basis o_cc-pvdz-uncon-2df-a o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 o d 0.5506 1.0 o f 2.370 1.0 o d 2.370 1.0 end # d fn from three most important p*p # f fn from most diffuse d*d basis o_cc-pvdz-uncon-3df-a o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 o d 0.5506 1.0 o f 2.370 1.0 o d 2.370 1.0 o d 4.900 1.0 end # diffuse s & p at 1/2 lowest exponent # d fn from three most important p*p # f fn from most diffuse d*d basis o_cc-pvdz-uncon-sp3df-a o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 o d 0.5506 1.0 o f 2.370 1.0 o d 2.370 1.0 o d 4.900 1.0 o s 0.15 1.0 o p 0.135 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # s fn from tightest s*s # p fn from tightest p*p basis o_cc-pvdz-uncon-spdf o s 11720.00000000 0.00071000 o s 1759.00000000 0.00547000 o s 400.80000000 0.02783700 o s 113.70000000 0.10480000 o s 37.03000000 0.28306200 o s 13.27000000 0.44871900 o s 5.02500000 0.27095200 o s 1.01300000 0.01545800 o s 0.30230000 -0.00258500 o p 17.70000000 0.04301800 o p 3.85400000 0.22891300 o p 1.04600000 0.50872800 o p 0.27530000 0.46053100 o d 1.18500000 1.00000000 o d 0.5506 1.0 o f 2.370 1.0 o s 23440.0 1.0 o p 35.4 1.0 end basis f_cc-pvdz-uncon f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 end # d fn from most diffuse p*p # f fn from most diffuse d*d basis f_cc-pvdz-uncon-df f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 f d 0.6942 1.0 f f 3.28 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # d fn from tighest p*p basis f_cc-pvdz-uncon-2df f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 f d 0.6942 1.0 f f 3.28 1.0 f d 45.34 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # d fn from most diffuse d*d basis f_cc-pvdz-uncon-2df-a f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 f d 0.6942 1.0 f f 3.28 1.0 f d 3.28 1.0 end # d fn from three most important p*p # f fn from most diffuse d*d basis f_cc-pvdz-uncon-3df-a f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 f d 0.6942 1.0 f f 3.28 1.0 f d 3.28 1.0 f d 6.324 1.0 end # s & p half of most diffuse in basis # d fn from three most important p*p # f fn from most diffuse d*d basis f_cc-pvdz-uncon-sp3df-a f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 f d 0.6942 1.0 f f 3.28 1.0 f d 3.28 1.0 f d 6.324 1.0 f s 0.195 1.0 f p 0.1735 1.0 end # d fn from most diffuse p*p # f fn from most diffuse d*d # s fn from tightest s*s # p fn from tightest p*p basis f_cc-pvdz-uncon-spdf f s 14710.00000000 0.00072100 f s 2207.00000000 0.00555300 f s 502.80000000 0.02826700 f s 142.60000000 0.10644400 f s 46.47000000 0.28681400 f s 16.70000000 0.44864100 f s 6.35600000 0.26476100 f s 1.31600000 0.01533300 f s 0.38970000 -0.00233200 f p 22.67000000 0.04487800 f p 4.97700000 0.23571800 f p 1.34700000 0.50852100 f p 0.34710000 0.45812000 f d 1.64000000 1.00000000 f d 0.6942 1.0 f f 3.28 1.0 f s 29420.0 1.0 f p 45.34 1.0 end