E=-423.928271690 Eh H=-423.751039 Eh G=-423.798123 Eh 20 0 1 C 0.399998 1.410895 -0.000009 C 1.773157 1.184477 -0.000016 C 2.274071 -0.117198 -0.000019 C 1.368641 -1.190331 -0.000028 C 0.002949 -0.967331 -0.000022 C -0.502296 0.344716 -0.000010 C -1.939225 0.720249 0.000004 H 2.464885 2.022221 -0.000017 H -0.004733 2.418587 -0.000005 H -0.693676 -1.799738 -0.000028 H 1.755189 -2.206706 -0.000039 O -2.644310 -0.387651 0.000002 C -4.062708 -0.227786 0.000022 H -4.459860 -0.717310 -0.891339 H -4.459837 -0.717336 0.891379 H -4.298243 0.837061 0.000041 C 3.756442 -0.383587 0.000041 H 4.048018 -0.962819 0.881406 H 4.047981 -0.963584 -0.880824 H 4.328582 0.546204 -0.000370