cis-o-Phenolcyanide
 
 C
 C,1,R1
 C,2,R2,1,A1
 C,3,R3,2,A2,1,D1,0
 C,4,R4,3,A3,2,D2,0
 C,1,R5,2,A4,3,D3,0
 C,1,R6,2,A5,3,D4,0
 N,7,R7,2,A6,1,D5,0
 O,2,R8,1,A7,6,D6,0
 H,9,R9,2,A8,1,D7,0
 H,3,R10,2,A9,1,D8,0
 H,4,R11,3,A10,2,D9,0
 H,5,R12,4,A11,3,D10,0
 H,6,R13,1,A12,2,D11,0
      Variables:
 R1=1.40679499
 R2=1.39329327
 R3=1.3849074
 R4=1.39569441
 R5=1.40034894
 R6=1.42219423
 R7=1.16031428
 R8=1.34495481
 R9=0.96773248
 R10=1.0835107
 R11=1.08472839
 R12=1.08333504
 R13=1.08374586
 A1=119.30391498
 A2=119.81203298
 A3=121.15776099
 A4=120.18455461
 A5=117.60560498
 A6=144.24140744
 A7=122.38759898
 A8=109.84642465
 A9=118.57371044
 A10=119.12881119
 A11=120.38820986
 A12=118.89148939
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=0.
 D8=180.
 D9=180.
 D10=180.
 D11=180.
 
 --------------------------------------------------------------
 
trans-o-Phenolcyanide
 
 C
 C,1,R1
 C,2,R2,1,A1
 C,3,R3,2,A2,1,D1,0
 C,4,R4,3,A3,2,D2,0
 C,1,R5,2,A4,3,D3,0
 C,1,R6,2,A5,3,D4,0
 N,7,R7,2,A6,1,D5,0
 O,2,R8,1,A7,6,D6,0
 H,9,R9,2,A8,1,D7,0
 H,3,R10,2,A9,1,D8,0
 H,4,R11,3,A10,2,D9,0
 H,5,R12,4,A11,3,D10,0
 H,6,R13,1,A12,2,D11,0
      Variables:
 R1=1.40444043
 R2=1.39245806
 R3=1.38747818
 R4=1.39184043
 R5=1.39907142
 R6=1.42524684
 R7=1.15816647
 R8=1.34866855
 R9=0.96254045
 R10=1.08638378
 R11=1.08464105
 R12=1.08335349
 R13=1.08372016
 A1=119.50231758
 A2=120.18579407
 A3=120.68971721
 A4=119.55022721
 A5=120.20196092
 A6=151.89763934
 A7=117.46506765
 A8=109.59264685
 A9=119.40779635
 A10=119.2574041
 A11=120.46340277
 A12=118.50704176
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=180.
 D9=180.
 D10=180.
 D11=180.
 
  o_phenolCN_zm.html
  Last modified: 27 April 2009