338
in1.xyz.log	Energy: -10505376.6882944
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C         -1.65734       -3.93904        6.72834
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C          6.25055       -3.13837        2.17806
C          5.56839       -3.30989        0.97001
C          1.44944      -12.37687        5.57974
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H          7.20889       -2.61932        2.18632
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C         -9.62501        2.69702       -3.71693
C         -9.06029        2.97567       -5.03210
C         -7.71060        3.31728       -5.15682
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C         -4.28079       -0.87387       -5.52909
C         -4.39769       -1.83075       -4.53334
C         -8.32555       -2.54541       -6.65219
C         -7.57032       -3.33690       -5.69181
C         -8.06754       -2.92128       -2.15198
C         -7.26049       -3.48982       -3.24822
C         -6.16546       -2.99449       -5.82710
C         -6.07426       -1.66272       -1.35801
C         -4.35738       -1.44847       -3.11893
C         -5.35552       -2.91503       -4.68723
C         -5.28445       -2.21407       -2.43652
C         -5.92088       -3.15812       -3.37810
C          0.89589       -0.75748       -0.92457
C          1.89654       -0.72550        0.04516
C          1.75271        0.00598        1.23813
C          0.55910        0.72124        1.41366
C         -0.46552        0.66034        0.47897
C         -0.31695       -0.07911       -0.70889
C         -1.44156       -0.12534       -1.58920
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C          2.69299        1.12841        3.31809
C          2.55732       -1.36153        3.13594
C          4.22566       -0.07096        1.75716
C         -2.50913       -0.10384       -2.16964
H         -4.13404        0.78964       -0.64992
H          1.04154       -1.33583       -1.83697
H          2.80520       -1.29887       -0.13266
H          0.40956        1.32620        2.30317
H         -1.40717        1.17074        0.66434
H          3.50544        1.08409        4.05896
H          2.77042        2.09025        2.79625
H          1.74819        1.11257        3.87586
H          2.58169       -2.22438        2.46157
H          3.32433       -1.50668        3.91269
H          1.57431       -1.34284        3.62310
H          4.41630       -0.96568        1.15444
H          4.38786        0.80869        1.12306
H          4.98061       -0.06238        2.55759
338
in2.xyz-cont.log	Energy: -10505371.9347219
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O          7.33209        5.72483        1.03981
N          4.79811        6.18246        1.69586
C          8.36947        6.13929        1.85141
C          9.61054        6.58540        1.43193
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O          4.11175        1.81835        2.58853
N          3.20114        3.95280        1.31022
N          5.90129        3.63404        1.80654
C          8.03394        6.06070        3.20795
C          1.53653        6.88431        0.35566
C          1.25565        6.82802        1.72347
C          4.32001        0.66891        0.59532
C          4.02824        0.58543        1.96011
C          0.68202        7.50120       -0.53971
C          0.09761        7.37139        2.25085
C          4.29719       -0.44617       -0.22359
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C          8.92952        6.43049        4.19692
H          0.91720        7.53430       -1.60237
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H          3.46431       -0.65936        3.62150
H         -0.11318        7.30117        3.31841
H          8.65226        6.36259        5.24940
C         -0.49662        8.05708       -0.01580
C         -0.78461        7.99034        1.35116
C          3.93030       -1.66505        0.37092
C          3.62275       -1.74790        1.73206
C         10.19161        6.88838        3.78345
H          3.87857       -2.55354       -0.25375
H          3.31494       -2.70269        2.15896
H         -1.71347        8.42219        1.72923
H         -1.19305        8.54425       -0.69868
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P          3.07112       -5.79274        0.90155
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C          5.31041       -4.81476        0.39153
C          6.42243       -4.29172       -0.24366
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C          7.42341       -3.74216        0.57439
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P          1.39641       -7.98376        0.77178
O          3.98525       -5.35506        2.20218
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O         -0.73614       -4.76588        1.62583
O          1.36078       -9.17487       -0.37468
O          1.11617       -9.00625        2.03926
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N          2.87237       -7.38098        0.86856
C          5.18807       -4.81254        1.78388
C         -1.37610       -3.92215       -0.43039
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C          1.06878      -10.39515        0.20125
C          0.93139      -10.29692        1.59072
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C         -2.64761       -3.21154        1.51079
C          0.91688      -11.59969       -0.46302
C          0.63992      -11.40457        2.36858
C          6.16789       -4.27435        2.59936
H         -1.91789       -3.11693       -2.36159
H          1.02102      -11.65391       -1.54724
H          0.53563      -11.31050        3.45001
H         -2.84745       -3.27318        2.57658
H          6.04679       -4.26761        3.68305
C         -3.13655       -2.35363       -0.71694
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338
out1.xyz-cont.log	Energy: -10505368.8331308
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C         -0.83600        0.31186       -2.25146
C         -1.89140        0.41209       -3.20403
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C          3.07286        1.26487        0.78146
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H         -3.97186        0.49318       -6.21087
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H          2.52522        0.17187       -1.79140
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H         -2.28697        0.25857       -0.65178
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H          2.34575        0.01048        3.07075
H          0.96840        0.97078        2.49546
H          2.33348       -2.12581        0.88365
H          3.43824       -1.31816       -0.24096
H          3.77628       -1.28357        1.49962
H          2.49720        2.19562        0.87196
H          3.83137        1.25776        1.57845
H          3.59755        1.28653       -0.18214
