1-Chloroadamantane  MP2/6-311+G(d,p) opt structure
    with ~re CCl, CH bond lengths.

 C
 H,1,B1
 H,1,B2,2,A1
 C,1,B3,3,A2,2,D1,0
 H,4,B4,1,A3,3,D2,0
 C,1,B5,4,A4,5,D3,0
 H,6,B6,1,A5,4,D4,0
 C,6,B7,1,A6,4,D5,0
 H,8,B8,6,A7,1,D6,0
 H,8,B9,6,A8,1,D7,0
 C,4,B10,1,A9,6,D8,0
 H,11,B11,4,A10,1,D9,0
 H,11,B12,4,A11,1,D10,0
 C,11,B13,4,A12,1,D11,0
 H,14,B14,11,A13,4,D12,0
 C,14,B15,11,A14,4,D13,0
 H,16,B16,14,A15,11,D14,0
 H,16,B17,14,A16,11,D15,0
 C,4,B18,1,A17,6,D16,0
 H,19,B19,4,A18,1,D17,0
 H,19,B20,4,A19,1,D18,0
 C,6,B21,1,A20,4,D19,0
 H,22,B22,6,A21,1,D20,0
 H,22,B23,6,A22,1,D21,0
 C,22,B24,6,A23,1,D22,0
 Cl,25,B25,22,A24,6,D23,0
      Variables:
 B1=1.095
 B2=1.095
 B3=1.53619094
 B4=1.095
 B5=1.53619094
 B6=1.095
 B7=1.53619094
 B8=1.095
 B9=1.095
 B10=1.53619094
 B11=1.095
 B12=1.095
 B13=1.53619094
 B14=1.095
 B15=1.53833869
 B16=1.094
 B17=1.094
 B18=1.53833869
 B19=1.094
 B20=1.094
 B21=1.53833869
 B22=1.094
 B23=1.094
 B24=1.52832208
 B25=1.8000
 A1=107.42874544
 A2=110.01234734
 A3=109.79132059
 A4=109.50979551
 A5=109.79132059
 A6=109.58191063
 A7=109.92657774
 A8=110.01234734
 A9=109.58191063
 A10=110.01234734
 A11=109.92657774
 A12=109.50979551
 A13=109.79132059
 A14=109.35095686
 A15=110.53690821
 A16=110.53690821
 A17=109.35095686
 A18=110.53690821
 A19=110.53690821
 A20=109.35095686
 A21=110.53690821
 A22=110.53690821
 A23=108.9550338
 A24=108.86396362
 D1=119.6373812
 D2=-58.49554634
 D3=-179.52273692
 D4=179.52273692
 D5=-59.81673378
 D6=-61.05023836
 D7=-179.15607563
 D8=59.81673378
 D9=179.15607563
 D10=61.05023836
 D11=-59.81673378
 D12=-179.52273692
 D13=-60.03003243
 D14=-179.62905162
 D15=-60.3823197
 D16=-60.03003243
 D17=-60.3823197
 D18=-179.62905162
 D19=60.03003243
 D20=60.3823197
 D21=179.62905162
 D22=-59.99431434
 D23=180.
 
 
  C10H15Cl_zm.html
  Last modified: 2 Nov 2009