%chk=000184794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184794

0 1
O -2.930662 2.681916 0.321269
O -1.558748 0.319854 -1.555905
O -1.262065 3.095255 1.800491
N -1.465749 0.996787 0.723729
N 9.643763 -1.021608 -0.341390
C -2.317078 0.433854 -0.348311
C -3.445985 1.550608 -0.492113
C -0.211453 0.355617 1.188490
C -2.827876 -0.966433 -0.080636
C -3.572772 2.088322 -1.903291
C -4.767816 1.163922 0.137787
C -1.795245 2.332988 1.039348
C 0.972576 0.651899 0.254977
C 2.265436 0.041468 0.809361
C 3.455338 0.322022 -0.118547
C -3.035711 -1.835000 -1.161944
C -3.108882 -1.394003 1.225110
C 4.750399 -0.288267 0.434060
C 5.942253 -0.003775 -0.490099
C -3.526982 -3.123745 -0.936631
C -3.601224 -2.683281 1.443484
C 7.233667 -0.618428 0.062319
C -3.811928 -3.548557 0.364682
C 8.427236 -0.327965 -0.861788
H -0.000525 0.731348 2.217698
H -0.388332 -0.741982 1.256988
H -3.561107 1.277741 -2.645487
H -2.758728 2.785355 -2.145339
H -4.504575 2.654446 -2.039192
H -5.455622 2.022290 0.158810
H -4.649727 0.842916 1.181833
H -5.258825 0.350065 -0.410808
H 1.094151 1.746042 0.131900
H 0.762730 0.245079 -0.755399
H 2.142659 -1.051436 0.940954
H 2.473739 0.448912 1.818436
H -1.084844 1.152508 -1.771367
H 3.580347 1.414393 -0.250312
H 3.249551 -0.083029 -1.128318
H -2.796938 -1.503601 -2.175395
H -2.943314 -0.725802 2.071315
H 4.954442 0.112719 1.445798
H 4.627573 -1.381371 0.562532
H 6.066322 1.088984 -0.617527
H 5.736750 -0.405460 -1.501564
H -3.684544 -3.797844 -1.777363
H -3.819781 -3.014675 2.457668
H 7.435023 -0.233122 1.079849
H 7.119220 -1.716161 0.176969
H -4.195356 -4.552897 0.538853
H 8.563734 0.769003 -0.975539
H 8.224468 -0.732738 -1.879280
H 10.453351 -0.780445 -0.904717
H 9.846566 -0.727288 0.608852


%chk=000184794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184794

0 1
O -2.794530 2.814582 -0.012514
O -1.713675 0.422869 -1.793201
O -0.938460 3.180556 1.384319
N -1.483879 1.022493 0.549925
N 9.813510 -0.978103 -0.090760
C -2.385418 0.475629 -0.475991
C -3.544716 1.575500 -0.459881
C -0.240645 0.362836 1.007684
C -2.865016 -0.948473 -0.207040
C -4.143903 1.864976 -1.836494
C -4.633867 1.317137 0.593793
C -1.652098 2.402030 0.724227
C 0.998188 0.672057 0.135197
C 2.276197 0.020138 0.708334
C 3.534400 0.327890 -0.134472
C -3.206464 -1.792755 -1.291945
C -3.018854 -1.428315 1.117509
C 4.818845 -0.321947 0.426973
C 6.079392 -0.001092 -0.407524
C -3.699740 -3.094833 -1.054182
C -3.508621 -2.730696 1.354124
C 7.360579 -0.657213 0.152927
C -3.854335 -3.568695 0.268793
C 8.620978 -0.324838 -0.671078
H -0.052877 0.703591 2.043082
H -0.426170 -0.725020 1.033855
H -4.610119 0.950792 -2.243346
H -3.386527 2.214294 -2.556137
H -4.917162 2.646257 -1.744175
H -5.274821 2.212256 0.663036
H -4.200579 1.127496 1.589800
H -5.258127 0.451556 0.314205
H 1.137419 1.769751 0.087055
H 0.820891 0.305524 -0.893695
H 2.138326 -1.080006 0.770370
H 2.437624 0.376642 1.747216
H -1.379838 1.332293 -2.008793
H 3.674180 1.427524 -0.191310
H 3.372421 -0.020160 -1.175994
H -3.059742 -1.429637 -2.312725
H -2.753514 -0.783327 1.962719
H 4.975217 0.019471 1.471761
H 4.683092 -1.422537 0.476568
H 6.215280 1.100061 -0.453916
H 5.921436 -0.339177 -1.453237
H -3.957325 -3.740333 -1.901245
H -3.618437 -3.090576 2.382988
H 7.512488 -0.323393 1.202152
H 7.247198 -1.758143 0.185335
H -4.234110 -4.579918 0.452286
H 8.708483 0.787896 -0.754215
H 8.488628 -0.710261 -1.700993
H 10.654707 -0.920376 -0.673331
H 10.002992 -0.696872 0.877258


