E=-1043.62403367 Eh H=-1043.502403 Eh G=-1043.552173 Eh 17 0 1 C -0.054643 1.298338 -0.000004 C 1.331274 1.233283 -0.000009 C 1.934663 -0.015783 0.000000 C 1.205074 -1.195003 0.000013 C -0.181330 -1.119583 0.000014 C -0.819129 0.123674 0.000004 C -2.300395 0.245610 0.000012 N -2.919208 1.405032 -0.613400 N -2.919214 1.405016 0.613443 H 1.945001 2.125123 -0.000019 H -0.537615 2.268844 -0.000009 H -0.767656 -2.029945 0.000026 H 1.723821 -2.145237 0.000023 N 3.405011 -0.091539 -0.000003 O 3.908458 -1.198824 0.000022 O 4.019182 0.958541 -0.000030 Cl -3.261405 -1.220546 -0.000025