Quinoxaline, B3P86/6-31G(3d,3p) opt structure.
0 1
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
C,5,B5,4,A4,3,D3,0
H,1,B6,2,A5,3,D4,0
H,2,B7,1,A6,6,D5,0
H,5,B8,4,A7,3,D6,0
H,6,B9,5,A8,4,D7,0
C,4,B10,3,A9,2,D8,0
C,11,B11,4,A10,3,D9,0
H,11,B12,4,A11,3,D10,0
H,12,B13,11,A12,4,D11,0
N,11,B14,4,A13,3,D12,0
N,12,B15,11,A14,4,D13,0
Variables:
B1=1.37134009
B2=1.41298726
B3=1.42394856
B4=1.41298726
B5=1.37134009
B6=1.08468796
B7=1.08414244
B8=1.08414244
B9=1.08468796
B10=2.26534465
B11=1.41657744
B12=1.08834686
B13=1.08834686
B14=1.30986671
B15=1.30986671
A1=119.88701555
A2=119.43196085
A3=119.43196085
A4=119.88701555
A5=119.97536416
A6=122.07364391
A7=118.03934054
A8=119.97536416
A9=89.90678361
A10=90.09321639
A11=149.93930777
A12=119.96747584
A13=32.59278233
A14=122.68599872
D1=0.
D2=0.
D3=0.
D4=180.
D5=180.
D6=180.
D7=180.
D8=180.
D9=0.
D10=180.
D11=180.
D12=180.
D13=0.
