memory 30 gb molecule { 0 1 N 3.17737 -0.47324 -1.32021 N 2.00376 -2.54915 -1.31281 N 1.36114 -0.81656 0.16590 N 2.32536 1.29352 -0.01307 N 1.19783 2.80352 1.39571 N 0.00363 1.49582 -0.18222 N -1.18407 2.80923 1.39589 N -0.00640 -2.70190 -0.06169 N -1.36521 -0.81010 0.16593 N -2.01457 -2.53865 -1.31459 N -3.17830 -0.45723 -1.32177 N -2.31898 1.30478 -0.01298 N -4.62599 1.41194 0.39174 N -3.44731 3.31605 -0.41300 N -5.79039 3.45016 -0.00990 C 3.00804 -1.74859 -1.68079 C 2.30251 -0.05952 -0.40190 C 1.20005 -2.00701 -0.39532 C 1.12229 1.90076 0.41424 C 0.00799 3.25811 1.79467 C -1.11301 1.90619 0.41434 C -1.20922 -2.00094 -0.39597 C -2.30236 -0.04825 -0.40239 C -3.01474 -1.73315 -1.68299 C -3.52277 2.04520 -0.01132 C -5.72589 2.16526 0.35411 C -4.61150 3.96534 -0.37377 C 3.53257 2.02842 -0.01158 N 4.63276 1.39049 0.39236 N 3.46298 3.29930 -0.41421 C 5.73608 2.13878 0.35452 C 4.63008 3.94335 -0.37509 N 5.80651 3.42309 -0.01045 C -0.00999 -4.02396 0.36202 N 1.18028 -4.59687 0.59002 N -1.20344 -4.59062 0.58906 C 1.10233 -5.85110 1.02811 C -1.13245 -5.84527 1.02716 N -0.01699 -6.54725 1.25784 H -4.59920 5.00939 -0.67991 H -6.65462 1.68931 0.66203 H 4.62262 4.98722 -0.68200 H 6.66254 1.65887 0.66312 H 2.04676 -6.35591 1.22336 H -2.07968 -6.34510 1.22166 H 0.00991 4.03550 2.55525 H 3.72803 -2.15740 -2.38592 H -3.73600 -2.13812 -2.38903 units angstrom } set { basis 6-31+G* scf_type df } optimize('b3lyp')