5-Hexynenitrile GA ~re MP2/6-311+G(2d,p) angles.
Assume B12 = 1.203
0 1
N
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
H,3,B5,2,A4,1,D3,0
H,3,B6,2,A5,1,D4,0
H,4,B7,3,A6,2,D5,0
H,4,B8,3,A7,2,D6,0
H,5,B9,4,A8,3,D7,0
H,5,B10,4,A9,3,D8,0
C,5,B11,4,A10,3,D9,0
C,12,B12,5,A11,4,D10,0
H,13,B13,12,A12,5,D11,0
Variables:
B1=1.1562
B2=1.4604
B3=1.5270
B4=1.5283
B5=1.092
B6=1.093
B7=1.092
B8=1.092
B9=1.093
B10=1.094
B11=1.4610
B12=1.203
B13=1.064
A1=178.80737275
A2=111.71731045
A3=111.37572308
A4=108.7805222
A5=108.47550987
A6=109.38086654
A7=109.54126038
A8=109.45012484
A9=109.72399646
A10=112.19291247
A11=178.50282593
A12=179.36094511
D1=2.98370369
D2=-179.24391536
D3=124.72013487
D4=-118.84910186
D5=59.32786596
D6=-58.28430599
D7=177.85002701
D8=60.96219945
D9=-60.69840929
D10=-0.10292234
D11=-161.16988034
