1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34
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EF PM7 PRECISE T=48H ENPART DISP
Crashed at "Geometry optimization using EF" on a Linux machine
C -2.40330 1 -2.80250 1 0.06670 1
C -1.97490 1 -1.37110 1 0.25670 1
O -2.32280 1 -0.70200 1 1.25220 1
O -1.16670 1 -0.71900 1 -0.67070 1
C -0.75930 1 0.63730 1 -0.49020 1
C -1.36230 1 1.43290 1 -1.60520 1
C -1.10870 1 2.86320 1 -1.61960 1
O -0.48520 1 3.45080 1 -0.72520 1
O -1.59210 1 3.60080 1 -2.69170 1
C 0.72090 1 0.77160 1 -0.47290 1
N 1.39920 1 0.03370 1 0.56020 1
C 1.62120 1 -1.32420 1 0.09310 1
C 2.73740 1 0.62590 1 0.71830 1
C 0.77940 1 0.05150 1 1.84150 1
H -2.79340 1 -2.88280 1 -0.95970 1
H -1.58970 1 -3.48610 1 0.29570 1
H -3.24050 1 -2.97730 1 0.78380 1
H -1.18460 1 0.98460 1 0.46390 1
H -1.13850 1 0.96550 1 -2.61500 1
H -2.48330 1 1.28380 1 -1.48680 1
H 1.14260 1 0.42590 1 -1.45970 1
H 1.00880 1 1.82810 1 -0.38450 1
H 1.39810 1 -2.05510 1 0.87880 1
H 1.01070 1 -1.53930 1 -0.82450 1
H 2.67980 1 -1.49590 1 -0.23160 1
H 3.42440 1 -0.14000 1 1.10820 1
H 3.08560 1 1.07720 1 -0.24810 1
H 2.62480 1 1.42070 1 1.47130 1
H 0.10570 1 0.89260 1 2.03730 1
H 0.30170 1 -0.95410 1 2.00550 1
H 1.56480 1 0.10310 1 2.65230 1
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