Gaussian 0 1 C 0 2.576400 0.986465 -1.609985 C 0 1.650574 -0.102676 -1.048111 C 0 0.480423 0.561066 -0.297531 C 0 -0.564133 -0.399231 0.274368 C 0 -1.602982 0.358871 1.064102 O 0 -1.564331 1.523880 1.389114 N 0 -1.256409 -1.123734 -0.777054 O 0 -2.627869 -0.443680 1.440445 C 0 2.444687 -1.079254 -0.168625 H 0 3.384735 0.549850 -2.186188 H 0 3.016388 1.569611 -0.806854 H 0 2.034134 1.666840 -2.257187 H 0 1.256500 -0.656494 -1.897705 H 0 -0.029800 1.245605 -0.964966 H 0 0.879852 1.156800 0.515839 H 0 -0.088593 -1.064819 0.996185 H 0 -1.996506 -1.718216 -0.480972 H 0 -0.688004 -1.505875 -1.495895 H 0 -3.307816 0.007660 1.935074 H 0 1.844315 -1.922684 0.153107 H 0 2.822037 -0.579041 0.718369 H 0 3.295547 -1.476273 -0.711349 MOPAC C 0.000000 0 0.000000 0 0.000000 0 0 0 0 C 1.535934 1 0.000000 0 0.000000 0 1 0 0 C 1.540512 1 109.304000 1 0.000000 0 2 1 0 C 1.529816 1 115.488541 1 177.631241 1 3 2 1 C 1.509171 1 110.506989 1 176.097778 1 4 3 2 O 1.210114 1 127.025345 1 350.115570 1 5 4 3 N 1.452454 1 111.587585 1 295.692627 1 4 3 2 O 1.355042 1 111.620804 1 172.345444 1 5 4 3 C 1.535522 1 110.410828 1 235.335175 1 2 1 3 H 1.084457 1 110.987839 1 182.777908 1 1 2 3 H 1.085663 1 110.765778 1 62.955765 1 1 2 3 H 1.084351 1 111.211655 1 302.983994 1 1 2 3 H 1.088043 1 107.072876 1 300.653198 1 2 1 10 H 1.083694 1 109.253296 1 55.986130 1 3 2 1 H 1.084442 1 108.805679 1 299.780685 1 3 2 1 H 1.090942 1 109.431641 1 60.841797 1 4 3 2 H 0.994385 1 115.937912 1 184.295639 1 7 4 3 H 0.992905 1 116.306854 1 45.617355 1 7 4 3 H 0.954300 1 113.750504 1 180.632462 1 8 5 4 H 1.084137 1 112.232788 1 186.427094 1 9 2 1 H 1.085983 1 110.767517 1 65.676468 1 9 2 1 H 1.084503 1 110.606659 1 306.285202 1 9 2 1