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NCCH2COH, MP2/aug-cc-pVTZ opt structure
approx. re bond lengths given in parentheses
O
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
N,4,B4,3,A3,2,D2,0
H,2,B5,1,A4,3,D3,0
H,3,B6,2,A5,1,D4,0
H,3,B7,2,A6,1,D5,0
Variables:
B1=1.20953149 (1.2025)
B2=1.52289684 (1.5208)
B3=1.45671886 (1.4575)
B4=1.1705272 (1.1559)
B5=1.10227673
B6=1.08834901
B7=1.09325677
A1=122.34404196
A2=111.46732104
A3=177.61397214
A4=121.95717324
A5=109.19197954
A6=107.65281114
D1=-144.75560933
D2=-2.80815545
D3=178.73036047
D4=-21.46808552
D5=95.9035923
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