PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG EF GEO-OK SCFCRT=1.D-10 CHARGE=3.0 COORDINATION NUMBER = 9 Pr -0.047010 1 -0.016016 1 -0.040405 1 N 2.543590 1 -0.016016 1 -0.040405 1 N 0.498847 1 -2.536144 1 0.125533 1 N 0.712924 1 -0.288724 1 2.425377 1 N -0.090605 1 1.897407 1 -1.804343 1 N -1.933955 1 -0.875769 1 -1.579913 1 N -1.972767 1 1.596119 1 0.624099 1 N 0.911153 1 -0.877725 1 -2.287296 1 N -1.840080 1 -1.253310 1 1.342141 1 N 0.930304 1 2.187950 1 0.916521 1 C 3.641669 1 0.236769 1 -0.040405 1 C 5.060000 1 0.592339 1 -0.055559 1 C 0.576094 1 -3.669505 1 0.177972 1 C 0.669928 1 -5.120937 1 0.256854 1 C 1.014564 1 -0.159035 1 3.509863 1 C 1.415398 1 0.013608 1 4.886645 1 C 0.047993 1 2.878465 1 -2.350380 1 C 0.211253 1 4.156503 1 -3.051427 1 C -2.671627 1 -1.446778 1 -2.216925 1 C -3.619472 1 -2.173868 1 -3.056811 1 C -2.683401 1 2.365878 1 1.037375 1 C -3.606737 1 3.355407 1 1.593466 1 C 1.324631 1 -1.332847 1 -3.235703 1 C 1.856538 1 -1.925851 1 -4.445726 1 C -2.569657 1 -1.954899 1 1.845202 1 C -3.514750 1 -2.877225 1 2.474637 1 C 1.436917 1 3.091168 1 1.369670 1 C 2.079019 1 4.264838 1 1.938140 1 H 5.374378 1 0.643126 1 -0.983114 1 H 5.573857 1 -0.089235 1 0.425703 1 H 5.184011 1 1.462451 1 0.379299 1 H -0.055093 1 -5.465951 1 0.818560 1 H 1.532761 1 -5.371382 1 0.646753 1 H 0.594537 1 -5.501355 1 -0.643145 1 H 1.747596 1 0.925941 1 5.018176 1 H 2.125144 1 -0.627267 1 5.101894 1 H 0.647090 1 -0.142799 1 5.472553 1 H 0.649783 1 4.801945 1 -2.458390 1 H -0.667884 1 4.500579 1 -3.314726 1 H 0.761303 1 4.023068 1 -3.851574 1 H -4.164433 1 -2.765758 1 -2.496922 1 H -3.130957 1 -2.706440 1 -3.717385 1 H -4.202169 1 -1.534065 1 -3.518846 1 H -4.409285 1 2.901896 1 1.925803 1 H -3.858956 1 3.994716 1 0.895407 1 H -3.170951 1 3.830032 1 2.331194 1 H 1.938337 1 -1.237248 1 -5.138210 1 H 1.254217 1 -2.632719 1 -4.756489 1 H 2.740258 1 -2.308311 1 -4.260416 1 H -4.304004 1 -2.380159 1 2.779840 1 H -3.087075 1 -3.308656 1 3.243128 1 H -3.788664 1 -3.557265 1 1.826277 1 H 1.600433 1 4.538202 1 2.750279 1 H 2.058628 1 4.996793 1 1.287566 1 H 3.007735 1 4.054913 1 2.163274 1 0