# RHF/3-21G* OPT(CALCFC,TS,NOEIGENTEST)FREQ OPTCYC=100 F-system4-RHF/3-21G*-transitionstate 0 1 I 0 0.289291 2.477844 -1.038879 F 0 1.947983 1.260345 -1.211578 C 0 1.687881 3.924042 -0.971680 C 0 2.542282 4.745743 -0.908188 C 0 -1.152313 4.045441 -0.847885 C 0 -1.974411 4.907349 -0.752106 O 0 3.472778 5.644547 -0.834686 C 0 -2.920609 5.888748 -0.641296 C 0 4.192383 6.043137 -2.059189 N 0 -3.711807 6.707047 -0.547195 H 0 4.889175 6.791046 -1.728683 H 0 4.705383 5.187241 -2.469391 H 0 3.492477 6.449738 -2.772690 I 0 2.139786 -1.099442 -0.829300 C 0 3.005585 -2.891434 -0.402802 C 0 3.484283 -3.945847 -0.134400 C 0 4.063080 -0.296646 -0.797195 C 0 5.159683 0.167862 -0.790298 O 0 4.011078 -5.095642 0.161407 C 0 6.417282 0.705246 -0.789200 C 0 4.613983 -5.905334 -0.910889 N 0 7.466385 1.155640 -0.792496 H 0 4.966278 -6.791046 -0.414902 H 0 3.864273 -6.145447 -1.649185 H 0 5.430374 -5.360947 -1.359985 I 0 -1.743912 -2.385544 -1.092880 C 0 -3.814500 -2.171844 -1.395584 C 0 -4.991302 -2.082733 -1.573792 F 0 0.317200 -2.473343 -0.714905 C 0 -1.626404 -0.490341 -0.325806 C 0 -2.178909 0.300949 0.428894 C 0 -6.340408 -1.988144 -1.779678 N 0 -7.466400 -1.912140 -1.951782 O 0 -2.237000 1.543045 0.893600 C 0 -3.267105 1.859650 1.878098 H 0 -3.149400 2.910141 2.081604 H 0 -4.244705 1.656937 1.467500 H 0 -3.113098 1.275040 2.772705 F 0 -0.237700 -0.100647 -1.408783