# B3LYP/Gen OPT(CALCFC)FREQ OPTCYC=100 F-dimer1-b3lyp-DZVP-groundstate 0 1 I 0 -2.000336 0.076050 -0.000183 F 0 -0.408630 -1.422745 -0.000381 C 0 -3.200729 -1.569534 0.000000 C 0 -3.898529 -2.558731 0.000198 C 0 -3.753525 1.275543 0.000198 C 0 -4.644135 2.103653 0.000305 H 0 -4.515533 -3.434738 0.000305 H 0 -5.449036 2.811340 0.000504 I 0 2.000153 -0.076141 -0.000183 F 0 0.408249 1.422546 -0.000488 C 0 3.200348 1.569443 0.000107 C 0 3.898056 2.558746 0.000198 C 0 3.753357 -1.275543 0.000198 C 0 4.644058 -2.103531 0.000397 H 0 4.514954 3.434753 0.000305 H 0 5.449051 -2.811142 0.000504 F 0 S 6 1.00 6384.71440000 -0.00203020 958.88652000 -0.01549810 218.19010000 -0.07577870 61.36473100 -0.25027230 19.60289600 -0.48010870 6.56488340 -0.32716140 S 2 1.00 13.81069400 0.07907070 1.22986650 -0.56812160 S 1 1.00 0.35847130 1.00000000 P 4 1.00 42.46991100 0.01831704 9.71388110 0.11245129 2.86403860 0.32977705 0.87460544 0.47997719 P 1 1.00 0.24250706 1.00000000 D 1 1.00 1.00000000 1.00000000 **** C 0 S 6 1.00 2808.06450000 0.00201780 421.13828000 0.01543320 95.58661600 0.07558150 26.73900400 0.24782820 8.43282680 0.47937250 2.76058210 0.33383440 S 2 1.00 5.44700450 -0.07784080 0.47924220 0.56895600 S 1 1.00 0.14615650 1.00000000 P 4 1.00 18.13085200 0.01585470 4.09988320 0.09568280 1.18583700 0.30491190 0.36859740 0.49350160 P 1 1.00 0.10972000 1.00000000 D 1 1.00 0.60000000 1.00000000 **** H 0 S 4 1.00 50.99917800 0.00966050 7.48321810 0.07372890 1.77746760 0.29585810 0.51932950 0.71590530 S 1 1.00 0.15411000 1.00000000 **** I 0 S 6 1.00 274845.46000000 -0.00162070 41233.18800000 -0.01239760 9366.73330000 -0.06220070 2638.40810000 -0.21629380 858.77440000 -0.46239490 296.30252000 -0.38484170 S 3 1.00 561.83722000 0.11422840 69.04014600 -0.63229090 29.98063500 -0.44201790 S 3 1.00 54.86968400 -0.27079860 9.99545850 0.84264720 4.58886780 0.30916570 S 3 1.00 9.12082560 -0.34102240 2.11967870 0.81006500 0.97089250 0.39675370 S 2 1.00 1.58799650 0.26297110 0.29533560 -0.75104120 S 1 1.00 0.11640160 1.00000000 P 5 1.00 4089.45540000 -0.00723660 967.03359000 -0.05583900 309.44213000 -0.23402420 112.45886000 -0.50470180 43.11859000 -0.36596330 P 3 1.00 164.64620000 -0.02523300 20.73658300 0.49441910 8.15583040 0.57414620 P 3 1.00 3.71048720 0.42999550 1.62499900 0.52623710 0.71462160 0.12340630 P 2 1.00 0.46281930 0.35372510 0.18643120 0.53558300 P 1 1.00 0.07148350 1.00000000 D 5 1.00 417.50324000 -0.01272520 123.61483000 -0.09152120 45.77903900 -0.30709890 18.39166300 -0.49963970 7.42179320 -0.30830660 D 3 1.00 6.27385860 -0.25930050 2.35941460 -0.56507650 0.83779660 -0.35236940 D 1 1.00 0.24400000 1.00000000 ****