# RHF/3-21G* OPT(CALCFC)FREQ OPTCYC=100 F-system4-RHF/3-21G*-groundstate 0 1 I 0 1.483948 2.547241 0.149338 F 0 2.410446 0.792740 0.435349 C 0 3.338348 3.300552 0.300537 C 0 4.465942 3.654144 0.417236 C 0 0.783142 4.570648 -0.120544 C 0 0.346954 5.675644 -0.264145 O 0 5.691849 4.039841 0.549042 C 0 -0.173035 6.930649 -0.424637 C 0 6.740738 3.492249 -0.344040 N 0 -0.618835 7.974243 -0.554047 H 0 7.633041 4.012344 -0.049149 H 0 6.836548 2.431046 -0.183044 H 0 6.483246 3.707550 -1.369446 I 0 -2.080048 -0.469238 0.025238 F 0 -0.261047 0.444550 0.053345 C 0 -2.763046 1.413452 -0.177048 C 0 -3.138947 2.529343 -0.335938 C 0 -4.130539 -1.101440 -0.013641 C 0 -5.262436 -1.485535 -0.028442 O 0 -3.545639 3.742538 -0.522247 C 0 -6.554840 -1.934143 -0.043045 C 0 -3.564346 4.696838 0.606339 N 0 -7.633041 -2.309845 -0.053848 H 0 -3.919540 5.613449 0.173447 H 0 -4.236237 4.336349 1.369446 H 0 -2.564148 4.811844 0.993042 I 0 1.831543 -1.699036 0.071945 F 0 -0.124649 -2.249542 0.194138 C 0 2.162750 -3.662643 -0.247238 C 0 2.316345 -4.822433 -0.450546 C 0 3.948441 -1.412735 -0.106445 C 0 5.104843 -1.128342 -0.203339 O 0 2.488739 -6.088531 -0.674545 C 0 6.396545 -0.696335 -0.308136 C 0 2.647141 -7.005539 0.468536 N 0 7.460236 -0.286240 -0.393341 H 0 2.772339 -7.974243 0.020935 H 0 3.519043 -6.724533 1.038940 H 0 1.761139 -6.972244 1.083435