E=-541.815808760 Eh H=-541.549050 Eh G=-541.603196 Eh 29 0 1 C -0.777466 1.509453 0.000019 C 0.607488 1.358763 0.000054 C 1.186272 0.087979 0.000056 C 0.328362 -1.027918 0.000014 C -1.046729 -0.880460 -0.000011 C -1.624153 0.400838 -0.000005 C -3.079424 0.698390 -0.000032 H 1.232392 2.244282 0.000087 H -1.231839 2.495886 0.000016 H -1.694531 -1.751419 -0.000032 H 0.753228 -2.028060 0.000001 O -3.722155 -0.446765 0.000024 C -5.147251 -0.366400 0.000005 H -5.516267 -0.877523 -0.891326 H -5.516285 -0.877454 0.891367 H -5.441971 0.683587 -0.000040 C 2.700685 -0.131941 0.000004 C 3.096808 -0.928155 1.255459 H 2.607304 -1.905358 1.285336 H 4.179244 -1.093011 1.269020 H 2.819874 -0.383356 2.162905 C 3.096863 -0.926782 -1.256299 H 2.820081 -0.380932 -2.163160 H 4.179285 -1.091742 -1.269920 H 2.607246 -1.903894 -1.287304 C 3.478323 1.187962 0.000748 H 3.254544 1.787566 -0.886953 H 3.254247 1.786730 0.888935 H 4.552016 0.978443 0.000814