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9-Cyanoanthracene.
B3P86/6-31G(3d,3p) optimized structure
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
C,3,B6,2,A5,1,D4,0
C,4,B7,3,A6,2,D5,0
C,8,B8,4,A7,3,D6,0
C,7,B9,3,A8,2,D7,0
C,10,B10,7,A9,3,D8,0
C,11,B11,10,A10,7,D9,0
C,12,B12,11,A11,10,D10,0
C,13,B13,12,A12,11,D11,0
H,11,B14,10,A13,7,D12,0
H,7,B15,3,A14,2,D13,0
H,1,B16,2,A15,3,D14,0
H,2,B17,1,A16,6,D15,0
H,5,B18,4,A17,3,D16,0
H,6,B19,5,A18,4,D17,0
C,8,B20,4,A19,3,D18,0
H,12,B21,11,A20,10,D19,0
H,13,B22,12,A21,11,D20,0
H,14,B23,13,A22,12,D21,0
N,8,B24,4,A23,3,D22,0
Variables: B1=1.36439514
B2=1.42340418
B3=1.43493191
B4=1.42044485
B5=1.3661152
B6=1.39472685
B7=1.40972506
B8=1.40972506
B9=1.39472685
B10=1.42340418
B11=1.36439514
B12=1.41838045
B13=1.3661152
B14=1.08550255
B15=1.08666582
B16=1.08455526
B17=1.08550255
B18=1.08498958
B19=1.08473997
B20=1.42429023
B21=1.08455526
B22=1.08473997
B23=1.08498958
B24=2.58391672
A1=120.80770873
A2=118.84480387
A3=118.74397966
A4=120.57856435
A5=121.76326275
A6=118.72375368
A7=121.68997945
A8=122.07864643
A9=121.76326275
A10=120.80770873
A11=120.19001215
A12=120.83493125
A13=118.44388219
A14=118.96067678
A15=120.25659457
A16=120.74840908
A17=118.77405793
A18=119.74283602
A19=119.15501028
A20=120.25659457
A21=119.42223273
A22=120.64737773
A23=119.15501028
D1=0.
D2=0.
D3=0.
D4=180.
D5=180.
D6=0.
D7=180.
D8=180.
D9=180.
D10=0.
D11=0.
D12=0.
D13=0.
D14=180.
D15=180.
D16=180.
D17=180.
D18=180.
D19=180.
D20=180.
D21=180.
D22=180.
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