MP2/6-311++G(d,p) optimized structure of cis-Formanilide
 
 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 C,4,B4,3,A3,2,D2,0
 C,5,B5,4,A4,3,D3,0
 H,1,B6,2,A5,3,D4,0
 H,2,B7,1,A6,6,D5,0
 H,3,B8,2,A7,1,D6,0
 H,4,B9,3,A8,2,D7,0
 H,6,B10,5,A9,4,D8,0
 N,5,B11,4,A10,3,D9,0
 H,12,B12,5,A11,4,D10,0
 C,12,B13,5,A12,4,D11,0
 O,14,B14,12,A13,5,D12,0
 H,14,B15,12,A14,5,D13,0
      Variables:
 B1=1.39946087
 B2=1.40036893
 B3=1.39764523
 B4=1.40307465
 B5=1.40339019
 B6=1.08650865
 B7=1.08604463
 B8=1.08650397
 B9=1.08744989
 B10=1.08611133
 B11=1.41289078
 B12=1.01332579
 B13=1.37462814
 B14=1.21775479
 B15=1.10306907
 A1=119.61090064
 A2=120.27537256
 A3=120.01293969
 A4=119.82175921
 A5=120.11187563
 A6=120.19560925
 A7=120.18432448
 A8=120.51189553
 A9=119.87905838
 A10=119.6817389
 A11=118.95800213
 A12=124.63884017
 A13=124.10444957
 A14=112.42128554
 D1=0.94728281
 D2=-1.18361029
 D3=-0.58111057
 D4=178.71311991
 D5=-178.82760268
 D6=-179.92545249
 D7=177.85571127
 D8=-176.46757435
 D9=-179.22051304
 D10=32.82716537
 D11=-137.03020219
 D12=177.96871945
 D13=-1.73347716

 
 -------------------------------------------------------------------
B3LYP/6-311++G(d,p) optimized structure of cis-Formanilide
 
 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 C,4,B4,3,A3,2,D2,0
 C,5,B5,4,A4,3,D3,0
 H,1,B6,2,A5,3,D4,0
 H,2,B7,1,A6,6,D5,0
 H,3,B8,2,A7,1,D6,0
 H,4,B9,3,A8,2,D7,0
 H,6,B10,5,A9,4,D8,0
 N,5,B11,4,A10,3,D9,0
 H,12,B12,5,A11,4,D10,0
 C,12,B13,5,A12,4,D11,0
 O,14,B14,12,A13,5,D12,0
 H,14,B15,12,A14,5,D13,0
      Variables:
 B1=1.39331336
 B2=1.39412809
 B3=1.39117096
 B4=1.39972089
 B5=1.39978104
 B6=1.0840736
 B7=1.08340124
 B8=1.08404458
 B9=1.08489927
 B10=1.08272255
 B11=1.41266806
 B12=1.01229293
 B13=1.37026402
 B14=1.21285577
 B15=1.10183619
 A1=119.29749659
 A2=120.43078625
 A3=120.25597707
 A4=119.36611865
 A5=120.06119419
 A6=120.34650786
 A7=120.16004498
 A8=120.15759738
 A9=120.35262875
 A10=119.00588098
 A11=117.92166097
 A12=127.007022
 A13=123.80705202
 A14=113.28101543
 D1=1.00363522
 D2=-0.91359966
 D3=-0.41609692
 D4=178.86420988
 D5=-179.221287
 D6=-179.67867139
 D7=178.47843164
 D8=-176.77800246
 D9=-179.37824781
 D10=24.62383142
 D11=-148.58050761
 D12=179.49033557
 D13=0.12237211
 
  Formanilide_cis_zm.html
  Last modified: 10 Jan 2011