分子模型创建.pptVIP

Gaussian Z-matrix c c 1 cc2 h 1 hc3 2 hcc3 h 1 hc3 2 hcc3 3 180.000 h 2 hc3 1 hcc3 3 0.000 h 2 hc3 1 hcc3 3 -180.00 cc2 1.400000 hc3 1.089000 hcc3 120.000 Gamess z-matrix zmat angstroms c c 1 cc2 h 1 hc3 2 hcc3 h 1 hc3 2 hcc3 3 180.000 h 2 hc3 1 hcc3 3 0.000 h 2 hc3 1 hcc3 3 -180.00 variables cc2 1.400000 hc3 1.089000 hcc3 120.000 constants end Mopac Z-matrix SYMMETRY C 0.000000