%chk=000182510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182510

0 1
O -1.375224 0.409320 -1.365355
O 2.005089 -0.830091 1.100037
N 0.027935 -2.095580 -1.217026
N -1.926153 0.342691 0.858922
N 1.460049 0.689460 -0.529674
C -0.122820 -1.209134 -0.040639
C -0.465262 -2.051901 1.219837
C 0.493836 -3.224184 1.478926
C 0.496430 -1.456873 -2.491985
C -1.106244 -3.040652 -1.456303
C -1.208757 -0.087816 -0.262091
C 1.236556 -0.468855 0.233801
C -0.027960 -4.126477 2.604574
C 1.973444 -1.794072 -2.694942
C -2.455135 -2.410194 -1.798697
C 0.932472 -5.281365 2.880592
C -2.962412 1.337858 0.870866
C 2.595707 1.559391 -0.427996
C -3.508852 1.674642 2.127921
C 2.636519 2.658403 -1.313669
C -3.435748 1.954156 -0.298452
C 3.626840 1.360748 0.504666
C -4.525866 2.626400 2.197567
C 3.709738 3.546201 -1.252168
C -4.454915 2.904407 -0.204032
C 4.691697 2.263106 0.547362
C -5.003360 3.243639 1.036057
C 4.740187 3.354214 -0.324913
H -0.443622 -1.391068 2.112626
H -1.501048 -2.437309 1.127409
H 0.653355 -3.814309 0.555502
H 1.500736 -2.828400 1.739584
H 0.329378 -0.356413 -2.514267
H -0.092006 -1.842101 -3.355070
H -0.779907 -3.714358 -2.283387
H -1.208573 -3.699603 -0.564564
H -1.025978 -4.527590 2.342080
H -0.169801 -3.534220 3.529829
H 2.349962 -1.366073 -3.629538
H 2.132040 -2.879569 -2.729809
H 2.602746 -1.419412 -1.877938
H -3.119722 -3.135465 -2.280466
H -2.350347 -1.556984 -2.484850
H -2.976425 -2.034153 -0.911804
H -1.691023 -0.051111 1.777650
H 0.812219 0.899322 -1.310168
H 1.923742 -4.916916 3.176808
H 1.070741 -5.912790 1.995500
H 0.562823 -5.921639 3.688771
H -3.145885 1.206736 3.039304
H 1.840165 2.821566 -2.035983
H -3.010004 1.699116 -1.274131
H 3.600591 0.508850 1.191446
H -4.949800 2.890539 3.166319
H 3.743730 4.396411 -1.932965
H -4.822763 3.384787 -1.111107
H 5.492275 2.109735 1.271239
H -5.796316 3.985098 1.099059
H 5.573522 4.050878 -0.283666


%chk=000182510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182510

0 1
O -0.989176 1.013730 -1.018608
O 2.231414 -0.807331 1.126265
N -0.093332 -1.835094 -1.107717
N -2.138715 0.247879 0.860624
N 1.624580 0.800958 -0.458417
C -0.044057 -0.989622 0.118569
C -0.310975 -1.860863 1.393822
C 0.469751 -3.192640 1.483785
C 0.718162 -1.527770 -2.312225
C -1.329861 -2.609533 -1.371201
C -1.094323 0.188823 -0.041439
C 1.392394 -0.324901 0.305869
C 0.083604 -3.989408 2.750338
C 2.146847 -2.115439 -2.265682
C -2.467767 -1.888877 -2.145202
C 0.834635 -5.334795 2.852732
C -3.247375 1.147875 0.900536
C 2.806793 1.586765 -0.540957
C -4.162163 0.992490 1.977779
C 2.762259 2.720097 -1.400490
C -3.467609 2.160692 -0.070494
C 4.001429 1.293286 0.171985
C -5.283651 1.838259 2.085652
C 3.893202 3.546587 -1.547971
C -4.596663 2.999555 0.052647
C 5.126281 2.131544 0.011155
C -5.508734 2.849046 1.121538
C 5.085666 3.257274 -0.842708
H -0.065923 -1.249635 2.285335
H -1.389252 -2.125747 1.449438
H 0.269647 -3.800041 0.581593
H 1.549116 -2.971659 1.491282
H 0.758083 -0.441218 -2.521961
H 0.186591 -1.971681 -3.175073
H -1.030445 -3.507991 -1.948222
H -1.727988 -2.990686 -0.413609
H -1.011527 -4.177641 2.756314
H 0.301048 -3.377709 3.650113
H 2.670546 -1.921291 -3.221657
H 2.106496 -3.207029 -2.100724
H 2.748033 -1.673920 -1.454047
H -3.277749 -2.608698 -2.371097
H -2.100132 -1.478176 -3.102713
H -2.903486 -1.055997 -1.568586
H -2.112844 -0.438527 1.618207
H 0.800763 1.124547 -1.002842
H 1.928415 -5.172890 2.875661
H 0.610591 -5.980341 1.982506
H 0.554531 -5.889344 3.767369
H -3.993352 0.211340 2.730832
H 1.839058 2.948998 -1.947417
H -2.761046 2.278716 -0.892824
H 4.029468 0.429057 0.837254
H -5.979811 1.708126 2.921304
H 3.843226 4.416207 -2.212665
H -4.761121 3.779771 -0.698926
H 6.043740 1.899401 0.564008
H -6.380181 3.506918 1.204486
H 5.965483 3.899546 -0.956923


