File: dvb_un_sp.gjf

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cclib-data 1.6.2-2
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%chk=PhCCCC_un.chk
%mem=6GB
%nproc=8
#p ub3lyp/sto-3g pop=full iop(3/33=1,3/36=-1) nosym

Notitle

1 2
 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
 H,2,B5,1,A4,5,D3,0
 H,3,B6,2,A5,1,D4,0
 H,5,B7,4,A6,3,D5,0
 C,4,B8,3,A7,2,D6,0
 C,9,B9,4,A8,3,D7,0
 H,10,B10,9,A9,4,D8,0
 H,9,B11,4,A10,3,D9,0
 H,10,B12,9,A11,4,D10,0
 C,1,B13,2,A12,3,D11,0
 H,14,B14,1,A13,2,D12,0
 C,14,B15,1,A14,2,D13,0
 H,16,B16,14,A15,1,D14,0
 H,16,B17,14,A16,1,D15,0
 C,5,B18,4,A17,3,D16,0
 H,19,B19,5,A18,4,D17,0
      Variables:
 B1=1.42115359
 B2=1.4021734
 B3=1.42244766
 B4=1.42115359
 B5=1.09761941
 B6=1.09866227
 B7=1.09761941
 B8=1.49760663
 B9=1.34426798
 B10=1.09599008
 B11=1.10040656
 B12=1.09622825
 B13=1.49760663
 B14=1.10040656
 B15=1.34426798
 B16=1.09599008
 B17=1.09622825
 B18=1.4021734
 B19=1.09866227
 A1=120.85704891
 A2=121.35373441
 A3=117.78921668
 A4=119.76455629
 A5=119.62884041
 A6=119.76455629
 A7=119.17161712
 A8=126.5934113
 A9=122.64703396
 A10=114.43382075
 A11=121.22829314
 A12=123.0391662
 A13=114.43382075
 A14=126.5934113
 A15=122.64703396
 A16=121.22829314
 A17=120.85704891
 A18=119.62884041
 D1=0.
 D2=0.
 D3=180.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=0.
 D9=0.
 D10=180.
 D11=180.
 D12=180.
 D13=0.
 D14=0.
 D15=180.
 D16=0.
 D17=180.