E=-518.544139204 Eh H=-518.317984 Eh G=-518.370815 Eh 25 0 1 C -0.445243 1.475920 -0.000038 C 0.928677 1.314809 0.000003 C 1.491231 0.018608 0.000164 C 0.609745 -1.092628 0.000091 C -0.756662 -0.904760 0.000044 C -1.322441 0.383657 0.000011 C -2.757267 0.702393 -0.000055 H 1.567161 2.189066 -0.000159 H -0.881112 2.470914 -0.000144 H -1.418157 -1.765778 0.000002 H 1.006563 -2.100377 0.000051 O -3.430593 -0.434056 0.000012 C -4.849790 -0.315567 -0.000039 H -5.237060 -0.815131 -0.890972 H -5.237110 -0.814944 0.890977 H -5.117322 0.742059 -0.000156 N 2.850514 -0.162981 0.000313 C 3.404551 -1.500457 -0.000204 H 3.097045 -2.065374 -0.888853 H 4.492081 -1.435834 0.000443 H 3.096061 -2.066341 0.887461 C 3.730928 0.986004 -0.000076 H 4.765222 0.643863 0.000822 H 3.578227 1.611099 -0.888587 H 3.577168 1.612216 0.887429