# B3LYP/3-21G* OPT(CALCFC)FREQ OPTCYC=100 F-trimer1-B3LYP/3-21G*-groundstate 0 1 I 0 -0.660034 2.363693 -0.017532 F 0 1.334641 1.336594 -0.026138 C 0 0.345444 4.196793 0.015152 C 0 0.985748 5.222397 0.032852 C 0 -2.458633 3.429184 -0.009048 C 0 -3.532440 3.985291 -0.006058 I 0 -1.754745 -1.764587 -0.019943 F 0 -1.859848 0.473297 -0.054535 C 0 -3.845947 -1.808700 0.015350 C 0 -5.054337 -1.765488 0.035049 C 0 -1.780441 -3.855087 0.016144 C 0 -1.726135 -5.062897 0.036545 I 0 2.374847 -0.645798 -0.018631 F 0 0.482941 -1.848495 -0.053741 C 0 3.455246 -2.437088 -0.008347 C 0 4.020050 -3.506393 -0.003357 C 0 4.199249 0.374893 0.013550 C 0 5.219040 1.024490 0.031143 H 0 1.547150 6.124390 0.048340 H 0 -4.475143 4.475494 -0.003448 H 0 -6.116135 -1.729095 0.052444 H 0 -1.680237 -6.124390 0.054550 H 0 4.517746 -4.445190 0.001144 H 0 6.116150 1.593796 0.046844