!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 0.10 ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: cc-pwCVQZ-PP ! Description: cc-pwCVQZ-PP ! Role: orbital ! Version: 0 (Data from the original Basis Set Exchange) !---------------------------------------------------------------------- $DATA IODINE S 1 1 8.028600E+00 1.000000E+00 S 1 1 3.742300E+00 1.000000E+00 S 1 1 1.744400E+00 1.000000E+00 S 10 1 1.690000E+04 1.900000E-05 2 2.541390E+03 1.420000E-04 3 5.744130E+02 5.920000E-04 4 1.509450E+02 1.243000E-03 5 2.916310E+01 -2.272100E-02 6 1.821960E+01 1.577080E-01 7 1.133650E+01 -2.000920E-01 8 6.924080E+00 -2.161520E-01 9 2.509810E+00 4.134390E-01 10 1.351130E+00 5.345850E-01 S 10 1 1.690000E+04 4.000000E-05 2 2.541390E+03 2.940000E-04 3 5.744130E+02 1.214000E-03 4 1.509450E+02 2.596000E-03 5 2.916310E+01 -5.362300E-02 6 1.821960E+01 3.439170E-01 7 1.133650E+01 -3.674270E-01 8 6.924080E+00 -5.389040E-01 9 2.509810E+00 7.095670E-01 10 1.351130E+00 6.280610E-01 S 1 1 6.163790E-01 1.000000E+00 S 1 1 3.834550E-01 1.000000E+00 S 1 1 1.800560E-01 1.000000E+00 S 1 1 8.232700E-02 1.000000E+00 P 1 1 1.044660E+01 1.000000E+00 P 1 1 4.880300E+00 1.000000E+00 P 1 1 2.837600E+00 1.000000E+00 P 6 1 6.491590E+02 9.500000E-05 2 1.480870E+02 6.290000E-04 3 2.010180E+01 4.532400E-02 4 6.358830E+00 -4.960000E-03 5 3.048460E+00 5.139270E-01 6 1.559500E+00 5.060930E-01 P 1 1 1.650000E+00 1.000000E+00 P 1 1 7.689110E-01 1.000000E+00 P 1 1 3.548140E-01 1.000000E+00 P 1 1 1.547660E-01 1.000000E+00 P 1 1 6.469900E-02 1.000000E+00 D 1 1 5.418100E+00 1.000000E+00 D 1 1 2.757000E+00 1.000000E+00 D 9 1 5.854450E+02 2.500000E-05 2 1.774680E+02 2.310000E-04 3 6.921930E+01 1.173000E-03 4 2.863920E+01 5.584000E-03 5 1.271530E+01 -2.383000E-02 6 5.479270E+00 1.168140E-01 7 3.354930E+00 2.727310E-01 8 1.984230E+00 3.401740E-01 9 1.152540E+00 2.686990E-01 D 1 1 1.402900E+00 1.000000E+00 D 1 1 6.510170E-01 1.000000E+00 D 1 1 3.474450E-01 1.000000E+00 D 1 1 1.547000E-01 1.000000E+00 F 1 1 1.144800E+01 1.000000E+00 F 1 1 4.101900E+00 1.000000E+00 F 1 1 1.469700E+00 1.000000E+00 F 1 1 5.865000E-01 1.000000E+00 F 1 1 2.494000E-01 1.000000E+00 G 1 1 4.624600E+00 1.000000E+00 G 1 1 1.431300E+00 1.000000E+00 G 1 1 4.730000E-01 1.000000E+00 H 1 1 1.586600E+00 1.000000E+00 $END $ECP I-ECP GEN 28 4 1 ----- g-ul potential ----- 0.00000000 2 1.00000000 3 ----- s-g potential ----- 49.98964900 2 40.03337600 281.00655600 2 17.30057600 61.41673900 2 8.85172000 4 ----- p-g potential ----- 67.41623900 2 15.72014100 134.80769600 2 15.20822200 14.56654800 2 8.29418600 28.96842200 2 7.75394900 4 ----- d-g potential ----- 35.53875600 2 13.81775100 53.33975900 2 13.58780500 9.71646600 2 6.94763000 14.97750000 2 6.96009900 4 ----- f-g potential ----- -20.17661800 2 18.52295000 -26.08807700 2 18.25103500 -0.22043400 2 7.55790100 -0.22164600 2 7.59740400 $END