!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: MIDI! ! Description: VDZP Valence Double Zeta + Polarization on some atoms ! Role: orbital ! Version: 1 (Data from the original Basis Set Exchange, plus Li) !---------------------------------------------------------------------- $DATA HYDROGEN S 2 1 4.501800 0.070452 2 0.681444 0.407826 S 1 1 0.151398 1.000000 LITHIUM S 3 1 35.0461500 0.737600000E-01 2 5.20169000 0.397471000 3 1.05624000 0.665092000 S 2 1 0.715170000 -0.939700000E-01 2 0.705300000E-01 0.570100000 S 1 1 0.273500000E-01 1.000000 P 1 1 0.5 1.000000 CARBON S 3 1 153.17226 0.070740 2 23.073030 0.395380 3 4.9232900 0.663311 S 2 1 5.725570 -0.081380 2 0.455040 0.574853 S 1 1 0.147070 1.000000 P 2 1 4.251310 0.109931 2 0.863270 0.462713 P 1 1 0.201350 1.000000 NITROGEN S 3 1 218.36449 0.067870 2 32.598890 0.390202 3 6.9173900 0.670083 S 2 1 8.326380 -0.080890 2 0.659190 0.567202 S 1 1 0.210090 1.000000 P 2 1 6.120350 0.115919 2 1.259380 0.469958 P 1 1 0.291450 1.000000 D 1 1 0.850000 1.000000 OXYGEN S 3 1 281.86658 0.069060 2 42.416000 0.393159 3 9.0956200 0.665669 S 2 1 11.46603 -0.080820 2 0.887860 0.582090 S 1 1 0.278800 1.000000 P 2 1 8.047240 0.124271 2 1.668420 0.476594 P 1 1 0.372510 1.000000 D 1 1 0.800000 1.000000 FLUORINE S 3 1 368.37112 0.067040 2 55.061060 0.389249 3 11.747670 0.670788 S 2 1 15.15184 -0.080550 2 1.151370 0.587729 S 1 1 0.358110 1.000000 P 2 1 10.57707 0.126270 2 2.194980 0.477948 P 1 1 0.479370 1.000000 D 1 1 1.000000 1.000000 SILICON S 3 1 910.6550 0.066082 2 137.3360 0.386229 3 29.76010 0.672380 S 3 1 36.67160 -0.104511 2 8.317290 0.107410 3 2.216450 0.951446 S 2 1 1.079130 -0.376108 2 0.302422 1.251650 S 1 1 0.093339 1.0 P 3 1 36.67160 0.113355 2 8.317290 0.457578 3 2.216450 0.607427 P 2 1 1.079130 0.067103 2 0.302422 0.956883 P 1 1 0.093339 1.0 D 1 1 0.4 1.0 PHOSPHORUS S 3 1 1053.2658 0.065865 2 158.79044 0.384578 3 34.424407 0.673963 S 3 1 45.45038 -0.092655 2 3.899926 0.626513 3 1.488507 0.441039 S 2 1 2.300841 -0.180549 2 0.298959 0.680952 S 1 1 0.108854 1.000000 P 3 1 46.100019 0.105388 2 10.165057 0.459712 3 2.644794 0.613714 P 2 1 0.632686 0.235885 2 0.240219 0.554160 P 1 1 0.086447 1.000000 D 1 1 0.250000 1.000000 SULFUR S 3 1 1201.4584 0.065765 2 181.39212 0.383948 3 39.404795 0.674372 S 3 1 52.13903 -0.094232 2 4.528799 0.635468 3 1.754938 0.431506 S 2 1 2.840437 0.190042 2 0.381433 -0.685527 S 1 1 0.138786 1.000000 P 3 1 54.644071 0.103673 2 12.122902 0.458190 3 3.2065040 0.613400 P 2 1 0.863274 0.229436 2 0.108679 0.353700 P 1 1 0.318130 1.000000 D 1 1 0.400000 1.000000 CHLORINE S 3 1 1362.0220 0.065544 2 205.81110 0.382987 3 44.772167 0.675210 S 3 1 59.225732 -0.095620 2 5.213902 0.641426 3 2.047346 0.425153 S 2 1 3.419712 0.196401 2 0.470017 -0.692360 S 1 1 0.169958 1.000000 P 3 1 64.099958 0.101789 2 14.287139 0.456107 3 3.828135 0.614282 P 2 1 1.095126 0.235903 2 0.132176 0.346600 P 1 1 0.396004 1.000000 D 1 1 0.650000 1.000000 BROMINE S 3 1 6103.2899 0.06241800 2 923.69743 0.37204100 3 202.52031 0.68587300 S 3 1 270.60150 -0.11214900 2 58.253570 0.09314500 3 18.469330 0.96167900 S 3 1 19.761420 -0.29387000 2 6.8217520 0.28026600 3 2.2916290 0.90203600 S 2 1 2.1312060 -0.65180300 2 0.4993540 1.33601200 S 1 1 0.1647640 1.0 P 3 1 270.60150 0.14775100 2 58.253570 0.60105600 3 18.469330 0.41287000 P 3 1 19.761420 0.02500700 2 6.8217520 0.48661000 3 2.2916290 0.58242300 P 2 1 2.1312060 0.02870800 2 0.4993540 0.98407000 P 1 1 0.1647640 1.0 D 3 1 33.965097 0.14966700 2 8.9008310 0.51174800 3 2.4284360 0.57591500 D 1 1 0.40 1.0 IODINE S 3 1 14351.186 0.061003 2 2173.0741 0.366640 3 477.87205 0.691131 S 3 1 648.1887 -0.112851 2 140.3064 0.083228 3 45.69880 0.969752 S 3 1 56.69469 -0.273697 2 27.48875 0.046500 3 8.209096 1.091576 S 3 1 8.191679 -0.450828 2 3.244596 0.463209 3 1.300489 0.838636 S 2 1 1.451380 -0.665852 2 0.328103 1.328584 S 1 1 0.115076 1.00000 P 3 1 648.1887 0.154114 2 140.3064 0.619462 3 45.69880 0.383758 P 3 1 56.69469 -0.152322 2 27.48875 0.543769 3 8.209096 0.656168 P 3 1 8.191679 0.011870 2 3.244596 0.526525 3 1.300489 0.526608 P 2 1 1.451380 0.027541 2 .3281030 0.985137 P 1 1 0.115076 1.00000 D 3 1 128.09026 0.115864 2 35.982378 0.482049 3 11.551116 0.589445 D 3 1 6.146152 0.268182 2 2.220937 0.580061 3 0.809912 0.326226 D 1 1 0.40 1.0 $END