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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.
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