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Urethane I, MP2/6-311+G(3df,3pd) optimized structure
O
C,1,R1
C,2,R2,1,A1
C,1,R3,2,A2,3,D1,0
O,4,R4,1,A3,2,D2,0
N,4,R5,1,A4,2,D3,0
H,6,R6,4,A5,1,D4,0
H,6,R7,4,A6,1,D5,0
H,3,R8,2,A7,1,D6,0
H,3,R9,2,A8,1,D7,0
H,3,R10,2,A9,1,D8,0
H,2,R11,1,A10,4,D9,0
H,2,R12,1,A11,4,D10,0
Variables:
R1=1.43714942
R2=1.50802608
R3=1.35087972
R4=1.2106468
R5=1.3652607
R6=1.00362409
R7=1.00372798
R8=1.08851118
R9=1.08761814
R10=1.08754535
R11=1.08857145
R12=1.08856714
A1=106.90851318
A2=114.20488955
A3=124.71662406
A4=109.96070974
A5=116.01324098
A6=118.36582535
A7=109.64247198
A8=110.69598659
A9=110.68336274
A10=108.88181598
A11=108.80897766
D1=-179.92980192
D2=-0.82084337
D3=177.4354636
D4=166.10276014
D5=16.60891304
D6=179.96618917
D7=-60.34236133
D8=60.25152618
D9=58.85174554
D10=-58.77111434
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