# B3LYP/3-21G* OPT(CALCFC,TS,NOEIGENTEST)FREQ OPTCYC=150 F-tetramer-1-B3LYP/3-21G*-transitionstate 0 1 I 0 3.331848 -0.474000 -0.916336 C 0 5.398834 -0.463196 -1.282639 C 0 6.593338 -0.387894 -1.460434 C 0 3.218842 -2.336487 -1.823730 C 0 3.071548 -3.420486 -2.337128 F 0 1.132843 -0.529495 -0.583435 H 0 7.642242 -0.316895 -1.615738 H 0 2.945145 -4.374100 -2.789230 F 0 2.940536 1.611100 0.190048 I 0 -0.530350 -2.206787 0.056656 C 0 1.051544 -2.641190 1.386658 C 0 1.983948 -2.848495 2.130646 C 0 -1.565643 -3.766495 0.910858 C 0 -2.217346 -4.665390 1.384750 F 0 -2.296646 -2.104095 -1.149628 H 0 2.797546 -3.030792 2.789246 H 0 -2.786850 -5.456497 1.806854 I 0 0.275742 1.914291 -0.069946 C 0 -0.864548 3.592087 0.118652 C 0 -1.548340 4.581787 0.224457 C 0 2.197647 3.091095 0.026260 C 0 2.626648 4.232300 -0.002548 H 0 -2.143448 5.456497 0.318054 H 0 2.997742 5.225296 -0.028748 F 0 -1.891251 0.589890 -0.201843 I 0 -3.730347 -0.192307 -0.901138 C 0 -5.656448 -0.849686 -1.557938 C 0 -6.715744 -1.292100 -1.946533 C 0 -4.598236 1.646790 -0.519730 C 0 -5.048141 2.741287 -0.277252 H 0 -7.642242 -1.684494 -2.288330 H 0 -5.453140 3.699800 -0.064255