nprocshared 12 mem 20gb chk hexcr at 2 nd rot chk p opt freq bp86 def2svp empirica1dispersion gd3 scrf so1vent ch1orofonn 来自 ACS 喜欢 0 阅读量: 18 作者: moleculename 摘要: O 7.49850000 1.15970000 1.12770000 O 7.10790000 1.86760000 -1.36310000 O 6.13230000 3.39000000 0.60090000 H ...