%chk=000188396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188396

0 1
O -0.693028 -1.657264 -0.128056
O 5.614616 -1.268549 2.829587
N -4.019820 2.139819 -0.383904
N 4.431637 0.584634 -0.572408
N 3.981654 -1.558203 -1.550122
N 4.732477 -1.420653 0.728266
C -4.417108 3.552987 -0.065182
C -4.577519 1.709199 -1.709533
C -3.886309 4.500178 -1.154405
C -4.052269 2.631502 -2.821687
C -4.407231 4.096447 -2.539184
C -4.489373 1.223001 0.709506
C -3.906512 -0.161993 0.543528
C -2.552962 -0.331288 0.259835
C -4.737082 -1.287665 0.720042
C -2.040215 -1.639728 0.156865
C -4.203937 -2.570582 0.614872
C -2.846866 -2.770134 0.331095
C -0.035452 -2.956779 -0.260010
C 1.397737 -2.587973 -0.480066
C 4.947453 1.381670 0.483576
C 3.697863 -3.013414 -1.388459
C 4.372010 -0.832128 -0.394884
C 5.344586 0.797818 1.648164
C 2.248162 -3.345842 -1.175113
C 5.268470 -0.677855 1.830943
C 5.000675 2.848130 0.217549
C 5.874259 1.582958 2.797110
H -3.960019 3.821616 0.911871
H -5.515906 3.678758 0.041226
H -5.687972 1.691114 -1.723331
H -4.232174 0.667719 -1.896894
H -4.177412 5.539105 -0.917349
H -2.777970 4.474595 -1.152589
H -2.951542 2.522770 -2.896551
H -4.465851 2.312086 -3.794969
H -5.502720 4.240639 -2.592039
H -3.972671 4.751476 -3.316265
H -5.598294 1.176480 0.789203
H -4.122505 1.632678 1.681953
H -1.899141 0.527850 0.105944
H -5.792395 -1.156827 0.939595
H -4.849811 -3.437817 0.754763
H -2.452625 -3.775412 0.256541
H -0.496647 -3.494944 -1.106442
H -0.169785 -3.523415 0.682165
H 1.685698 -1.643698 -0.005912
H 4.082073 -3.501669 -2.316305
H 4.302837 -3.434054 -0.538185
H 1.943895 -4.294983 -1.620408
H 4.221553 1.019912 -1.466076
H 3.291123 -1.093318 -2.148053
H 6.039225 3.216336 0.268891
H 4.597943 3.148022 -0.757893
H 4.431632 3.402978 0.983388
H 6.157886 0.914720 3.631577
H 5.126615 2.284011 3.191043
H 6.771942 2.153079 2.525178


%chk=000188396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188396

0 1
O -1.086423 -1.061563 -0.012074
O 7.513846 -2.334443 1.503722
N -5.049623 2.047689 -0.837085
N 5.178913 0.789438 0.311672
N 3.811349 -0.720251 -0.892971
N 5.667052 -1.554640 0.295813
C -5.603500 3.420123 -0.723468
C -5.348606 1.442993 -2.160946
C -5.034277 4.339425 -1.823063
C -4.772531 2.301212 -3.304572
C -5.307164 3.749236 -3.226012
C -5.469048 1.178342 0.285528
C -4.622633 -0.085280 0.427268
C -3.241699 -0.054179 0.141639
C -5.209222 -1.290699 0.894508
C -2.447524 -1.212134 0.318148
C -4.411764 -2.439777 1.075936
C -3.026906 -2.417152 0.790638
C -0.204590 -2.236227 0.189931
C 1.196926 -1.802316 -0.130679
C 6.281538 1.076959 1.140818
C 3.421967 -2.051693 -1.367696
C 4.916967 -0.528697 -0.079401
C 7.096647 0.045943 1.561699
C 1.990551 -2.423850 -1.038572
C 6.795643 -1.353973 1.135970
C 6.485653 2.528476 1.510267
C 8.296422 0.277790 2.451797
H -5.345252 3.817375 0.276772
H -6.724505 3.413665 -0.800434
H -6.457309 1.332227 -2.304194
H -4.911668 0.428858 -2.185313
H -5.482437 5.347410 -1.728028
H -3.942079 4.440664 -1.670862
H -3.668278 2.308148 -3.221941
H -5.033249 1.840191 -4.276654
H -6.400820 3.747298 -3.416009
H -4.844187 4.379622 -4.008733
H -6.548040 0.883241 0.210054
H -5.374667 1.776270 1.215086
H -2.786666 0.867951 -0.233129
H -6.283787 -1.326951 1.109497
H -4.867335 -3.369706 1.435011
H -2.431371 -3.324186 0.928462
H -0.528315 -3.071742 -0.463713
H -0.285361 -2.561263 1.249554
H 1.575008 -0.945840 0.442434
H 3.573576 -2.128272 -2.464773
H 4.137077 -2.756966 -0.898841
H 1.596579 -3.283949 -1.601030
H 4.577377 1.557255 0.007955
H 3.234771 0.074104 -1.172232
H 7.464771 2.892299 1.149482
H 5.702877 3.182564 1.085291
H 6.477366 2.658569 2.607346
H 8.790454 -0.692429 2.624431
H 8.010654 0.701784 3.434214
H 9.029753 0.969161 1.993486


