1# B3LYP/6-31G* pop=nboread
2
3B3LYP/6-31G* opted
4
50 1
6 C                  0.00000000    0.00000000   -0.56221066
7 H                  0.00000000   -0.92444767   -1.10110537
8 H                 -0.00000000    0.92444767   -1.10110537
9 O                  0.00000000    0.00000000    0.69618930
10
11$NBO DMNAO $END
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