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# B3LYP/6-31G opt=modredundant nosymm

CNCOC

0,1
C -1        0.891        0.743        0.000
N -1        -0.467        1.107        0.000
O -1        -0.310        -1.089        0.000
C -1        0.980        -0.593        0.000
C -1        -1.123        0.006        0.000
H 0        1.660        1.475        0.000
H 0        1.774        -1.297        0.000
H 0        x        y        0.950

x -2.0 S 40 0.1  
y -2.0 S 40 0.1
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