Benzyl Cyanide  B3P86/6-31G(3d,3p) optimized structure.
 
 C
 C,1,R1
 C,2,R2,1,A2
 C,3,R3,2,A3,1,0.
 C,4,R4,3,A4,1,0.
 C,5,R5,4,A5,1,0.
 C,2,R6,3,A6,1,180.
 H,1,R7,6,A7,2,180.
 H,3,R8,2,A8,1,180.
 H,4,R9,3,A9,1,180.
 H,5,R10,4,A10,1,180.
 H,6,R11,5,A11,1,180.
 H,7,R12,2,A12,1,D
 H,7,R13,2,A13,1,-D
 C,7,R14,2,A14,1,180.
 N,15,R15,7,A15,1,180.
      Variables:
 R1=1.39523237
 R2=1.39090397
 R3=1.39159735
 R4=1.38847297
 R5=1.39137488
 R6=1.51660576
 R7=1.08645859
 R8=1.08539694
 R9=1.08479674
 R10=1.08462252
 R11=1.08483427
 R12=1.09578217
 R13=1.09578217
 R14=1.45621137
 R15=1.15559046
 A2=119.30272515
 A3=120.20187217
 A4=120.31859194
 A5=119.65305232
 A6=122.30600481
 A7=119.7683955
 A8=119.74706662
 A9=119.5403307
 A10=120.19435929
 A11=120.16553239
 A12=110.09789099
 A13=110.09789099
 A14=114.45045311
 A15=179.94836297
 D=58.36690408
 
 
  C6H5_CH2CN_zm.html
  Last modified: 15 Oct 2009