IV.D.3.a. (XVIII.A.3.) |
Species with point groups that differ from experiment at CISD/6-31G**
Point group | |||
---|---|---|---|
Species | Name | Experimental | Calculated |
N2H4 | Hydrazine | C2 | C1 |
H2F2 | Hydrogen fluoride dimer | Cs | C1 |
MgOH | magnesium hydroxide | C∞v | Cs |
MgOH | magnesium hydroxide | C∞v | Cs |
CH3S | thiomethoxy | C3v | C1 |
CH3CH2SH | ethanethiol | Cs | C1 |