%chk=000184636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184636

0 1
O -2.283033 1.595443 1.417515
O -1.400462 -2.719594 -1.305817
N -0.977164 0.617070 -0.171729
N -3.038078 -1.312770 -0.584814
N 2.463449 0.549746 1.213646
C -0.862420 -0.335511 -1.314382
C -3.404922 0.013549 -0.021080
C 0.207644 1.430254 0.284872
C -4.421470 -0.260831 1.109939
C 0.574704 -0.803874 -1.658606
C -2.187504 0.801835 0.489504
C -3.873860 -2.396547 0.016520
C -1.739927 -1.582943 -1.034251
C -4.496289 -1.787677 1.283618
C 1.554724 -0.538538 -0.584324
C 1.389422 0.513235 0.306806
C 2.780326 -1.209295 -0.244101
C 0.435700 2.578066 -0.660929
C 3.335465 -0.503463 0.881987
C 3.468421 -2.323359 -0.759640
C 0.029520 3.839885 -0.444518
C 4.553684 -0.891666 1.476238
C 4.662772 -2.700082 -0.170467
C 5.199248 -1.989211 0.935811
C 0.312967 4.918158 -1.446570
C -0.706162 4.286886 0.775469
H -1.287696 0.173206 -2.226171
H -3.878024 0.624012 -0.837576
H -0.027733 1.801727 1.326045
H -5.408065 0.158804 0.847167
H -4.115873 0.241860 2.050405
H 0.906953 -0.300098 -2.592083
H 0.557799 -1.897303 -1.898905
H -3.257572 -3.297975 0.224635
H -4.646514 -2.687632 -0.726981
H -3.939424 -2.103982 2.185034
H -5.535822 -2.127154 1.425392
H 2.591669 1.218626 1.945483
H 0.969332 2.307182 -1.571451
H 3.053887 -2.870979 -1.603315
H 4.959553 -0.348957 2.322553
H 5.211593 -3.558855 -0.551246
H 6.142945 -2.327357 1.362255
H 0.985469 4.591625 -2.250270
H -0.616099 5.262900 -1.922628
H 0.778020 5.793156 -0.971956
H -0.011185 4.555523 1.582016
H -1.340615 5.162110 0.590143
H -1.374853 3.499095 1.176654


%chk=000184636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184636

0 1
O -2.506554 1.655033 1.247340
O -1.229081 -2.939934 -1.074178
N -1.079090 0.553666 -0.249481
N -2.929032 -1.507863 -0.367960
N 2.348048 0.506077 1.174188
C -0.952653 -0.469125 -1.345773
C -3.433807 -0.117408 -0.206525
C 0.092469 1.371151 0.233052
C -4.650681 -0.255789 0.743635
C 0.508684 -0.795631 -1.766956
C -2.306260 0.785778 0.339632
C -3.781127 -2.500557 0.326452
C -1.700054 -1.773870 -0.916818
C -4.469662 -1.645664 1.417042
C 1.492448 -0.562932 -0.653426
C 1.282917 0.454928 0.266663
C 2.749148 -1.197005 -0.313117
C 0.349977 2.588462 -0.650679
C 3.268711 -0.500247 0.841016
C 3.493147 -2.277473 -0.855758
C 0.120997 3.893236 -0.322458
C 4.492597 -0.854416 1.447485
C 4.716096 -2.633233 -0.253900
C 5.211169 -1.929600 0.883915
C 0.489460 5.002116 -1.294707
C -0.488264 4.362841 0.988967
H -1.491477 -0.078459 -2.237497
H -3.742314 0.295764 -1.190848
H -0.191659 1.704690 1.247273
H -5.588674 -0.226061 0.161774
H -4.655789 0.576257 1.465994
H 0.773141 -0.187465 -2.654603
H 0.509832 -1.855648 -2.079772
H -3.148888 -3.316773 0.712871
H -4.517736 -2.937996 -0.376107
H -3.807550 -1.557514 2.296844
H -5.427652 -2.079839 1.748032
H 2.433465 1.156557 1.951996
H 0.803108 2.359608 -1.626620
H 3.119126 -2.830083 -1.724701
H 4.876778 -0.319408 2.323338
H 5.299670 -3.466320 -0.661327
H 6.165821 -2.231683 1.329088
H 0.984587 4.613601 -2.201343
H -0.411771 5.566820 -1.605505
H 1.169993 5.734561 -0.816639
H 0.295169 4.750953 1.671109
H -1.184515 5.202307 0.801778
H -1.057772 3.571889 1.503108


