1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23
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PM7 BFGS PRECISE
dvb_gopt.out
C 0.26948 1 1.41009 1 0.00000 1
C -1.06475 1 0.92070 1 0.00000 1
C -1.32543 1 -0.45703 1 0.00000 1
C -0.26948 1 -1.41009 1 0.00000 1
C 1.06475 1 -0.92070 1 0.00000 1
H -1.90444 1 1.62760 1 0.00000 1
H -2.36477 1 -0.81317 1 0.00000 1
H 1.90444 1 -1.62760 1 0.00000 1
C -0.60373 1 -2.86992 1 0.00000 1
C 0.26948 1 -3.89195 1 0.00000 1
H 1.35517 1 -3.74201 1 0.00000 1
H -1.68190 1 -3.09000 1 0.00000 1
H -0.07403 1 -4.93297 1 0.00000 1
C 0.60373 1 2.86992 1 0.00000 1
H 1.68190 1 3.09000 1 0.00000 1
C -0.26948 1 3.89195 1 0.00000 1
H -1.35517 1 3.74201 1 0.00000 1
H 0.07403 1 4.93297 1 0.00000 1
C 1.32543 1 0.45703 1 0.00000 1
H 2.36477 1 0.81317 1 0.00000 1
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