cis-m-Cyanophenol
 
 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
 H,2,R8,1,A7,6,D6,0
 O,3,R9,2,A9,1,D8,0
 H,10,R10,3,A8,1,D7,0
 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=1.39786186
 R2=1.39031469
 R3=1.39506188
 R4=1.38685604
 R5=1.39656573
 R6=1.42897668
 R7=1.15815889
 R8=1.08548455
 R9=1.35531026
 R10=0.96264579
 R11=1.08373701
 R12=1.08434493
 R13=1.08265759
 A1=119.47120939
 A2=120.06423676
 A3=119.88013616
 A4=120.74186482
 A5=119.31764684
 A6=149.96979366
 A7=119.78007719
 A8=109.60325631
 A9=122.59144934
 A10=118.78631162
 A11=119.39013145
 A12=119.83599618
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=0.
 D8=180.
 D9=180.
 D10=180.
 D11=180.
 
 --------------------------------------------------------------
 
trans-m-Cyanophenol
 
 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
 H,2,R8,1,A7,6,D6,0
 O,3,R9,2,A9,1,D8,0
 H,10,R10,3,A8,1,D7,0
 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=1.39523445
 R2=1.39100008
 R3=1.39446905
 R4=1.38911634
 R5=1.39867305
 R6=1.42974036
 R7=1.15799653
 R8=1.08278573
 R9=1.35541588
 R10=0.96246502
 R11=1.08667135
 R12=1.0843102
 R13=1.08261633
 A1=119.26840861
 A2=120.07858867
 A3=120.05086183
 A4=120.98974113
 A5=119.35140717
 A6=150.29941685
 A7=120.95029873
 A8=109.48432044
 A9=117.13466658
 A10=119.72599266
 A11=119.48312659
 A12=119.92611
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=180.
 D9=180.
 D10=180.
 D11=180.
 
  m_phenolCN_zm.html
  Last modified: 27 April 2009