CH2CH-CCCCCN rc with
MP2/6-311+G(d,p) angles
0 1
C
C,1,B1
H,1,B2,2,A1
H,1,B3,2,A2,3,D1,0
H,2,B4,1,A3,4,D2,0
C,2,B5,1,A4,4,D3,0
C,6,B6,2,A5,4,D4,0
C,7,B7,6,A6,4,D5,0
C,8,B8,7,A7,4,D6,0
C,9,B9,8,A8,4,D7,0
N,10,B10,9,A9,4,D8,0
Variables:
B1=1.3340
B2=1.0817
B3=1.0812
B4=1.0853
B5=1.4206
B6=1.2144
B7=1.3594
B8=1.2145
B9=1.3680
B10=1.1622
A1=121.33918977
A2=120.39455462
A3=120.15224135
A4=123.20174775
A5=176.61733107
A6=177.05378989
A7=177.35033291
A8=177.46180569
A9=179.66988098
D1=180.
D2=0.
D3=180.
D4=180.
D5=0.
D6=180.
D7=0.
D8=180.
