%chk=000188544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188544

0 1
O -8.227176 -1.093916 0.365337
O -6.865684 -1.214561 -1.397241
N 1.056393 0.946527 -0.235332
C 3.493667 0.752618 0.039235
C 4.469354 -0.215913 -0.383665
C 2.382869 1.187694 -0.887936
C 5.504144 -0.584058 0.517115
C 3.571625 1.301945 1.300513
C 4.442879 -0.827454 -1.678379
C -6.013771 -0.269991 0.763571
C 5.554530 0.007108 1.819098
C 4.608996 0.925620 2.198383
C 6.484000 -1.545970 0.108875
C -0.064251 1.034704 -1.223559
C 5.391851 -1.746921 -2.045973
C 6.429240 -2.112139 -1.139133
C -6.590704 1.080126 1.217845
C -5.856511 -1.242337 1.943338
C -1.365396 0.810707 -0.508106
C -7.002733 -0.897138 -0.243107
C -4.738107 -0.074236 0.099220
C -2.438465 0.274556 -1.108413
C -3.673582 0.091338 -0.447760
H 2.467785 2.285108 -1.076610
H 2.476446 0.695441 -1.884742
H 2.827515 2.030546 1.629274
H 1.053937 0.018012 0.205803
H 3.646458 -0.543503 -2.369591
H 6.353994 -0.286908 2.497021
H 4.634877 1.381634 3.187205
H 7.271381 -1.816349 0.811123
H 0.052439 0.339700 -2.085467
H -0.068158 2.068066 -1.651612
H 5.369762 -2.210938 -3.030577
H 7.170168 -2.843878 -1.456608
H -6.690374 1.782201 0.380846
H -7.583076 0.953313 1.671655
H -5.939746 1.554102 1.962647
H -5.430819 -2.202109 1.625481
H -5.186843 -0.827682 2.706705
H -6.825058 -1.444559 2.420681
H -1.385221 1.136601 0.536317
H -2.427814 -0.054630 -2.154914
H -8.894621 -1.497178 -0.249963


%chk=000188544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188544

0 1
O -8.564881 -0.777239 0.748862
O -7.130248 -1.473287 -0.932310
N 0.939420 0.128283 -0.460256
C 3.398827 -0.052634 -0.026833
C 4.758139 -0.281318 -0.467476
C 2.290602 0.196755 -1.048805
C 5.791010 -0.522642 0.523761
C 3.114294 -0.051230 1.343645
C 5.141042 -0.265940 -1.852387
C -6.296074 0.072860 0.862414
C 5.448023 -0.527307 1.916335
C 4.133884 -0.290878 2.316925
C 7.141064 -0.745984 0.093584
C -0.155909 0.563645 -1.355054
C 6.465779 -0.482879 -2.241284
C 7.477498 -0.728318 -1.261112
C -6.829756 1.544582 0.896130
C -6.154204 -0.465015 2.325698
C -1.463982 0.625784 -0.602600
C -7.315067 -0.806911 0.104643
C -4.988750 0.024809 0.176576
C -2.602024 -0.013126 -1.010243
C -3.864750 0.035477 -0.340107
H 2.414345 1.212848 -1.479972
H 2.415974 -0.513437 -1.903791
H 2.088113 0.157149 1.661760
H 0.744281 -0.792105 -0.043446
H 4.386189 -0.074563 -2.622140
H 6.235153 -0.713447 2.656789
H 3.872593 -0.284987 3.381005
H 7.910531 -0.928868 0.853561
H -0.274865 -0.075776 -2.265107
H 0.106076 1.581224 -1.715139
H 6.734700 -0.464889 -3.303428
H 8.512294 -0.898834 -1.577823
H -6.944092 1.947434 -0.124685
H -7.804450 1.580820 1.409965
H -6.107322 2.177443 1.439404
H -5.785154 -1.504812 2.331076
H -5.429378 0.162775 2.871613
H -7.129351 -0.425500 2.838355
H -1.462584 1.222489 0.318788
H -2.569133 -0.617280 -1.930339
H -9.201655 -1.349871 0.242049


