%chk=000191743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191743

0 1
O -4.933084 -1.540513 0.086968
O -0.411437 -2.240232 0.977492
O 2.766100 -3.597410 -0.154877
O -5.420291 2.498502 1.267490
O -7.559398 1.937841 1.629908
O 1.536942 -2.937466 -1.978304
O 2.489299 2.789564 2.485322
O 4.172281 3.415870 1.281286
N 1.053256 0.221279 -2.201121
N -2.279657 -2.123106 -0.337950
N -4.412340 0.098024 1.592701
N 0.664531 -4.402297 -0.342323
N 3.369726 2.579132 1.668260
C -2.495360 0.251382 -1.076078
C -2.628881 -0.752543 0.093782
C -1.073214 0.500688 -1.417135
C -0.335171 1.711621 -1.147672
C 0.996918 1.510246 -1.648002
C -0.206660 -0.382666 -2.051351
C -4.099921 -0.784043 0.555251
C -0.655946 2.941775 -0.540998
C 1.989715 2.507781 -1.554372
C -1.113621 -2.727064 0.104895
C 0.323086 3.914479 -0.446210
C 1.633848 3.699377 -0.950636
C -0.747848 -4.046510 -0.593709
C -5.810861 0.263092 2.013192
C -6.402406 1.602802 1.625622
C 1.620300 -3.548957 -0.935181
C 3.859552 -2.723246 -0.544582
C 3.694694 -1.348085 0.046217
C 2.584990 -1.006691 0.827861
C 4.703132 -0.398418 -0.204985
C 3.483251 1.215609 1.109644
C 2.471425 0.278782 1.361929
C 4.600808 0.884788 0.324215
H -2.994891 1.206879 -0.804520
H -3.045563 -0.120254 -1.968219
H -1.933682 -0.450312 0.931281
H -0.380924 -1.386213 -2.404675
H 1.865008 -0.233929 -2.575104
H -2.914594 -2.556221 -1.008309
H -1.658132 3.112853 -0.157461
H 2.987561 2.340196 -1.945259
H 0.101511 4.870165 0.026077
H 2.369102 4.498857 -0.847524
H -3.771827 0.834613 1.887551
H -1.394843 -4.877458 -0.224195
H -0.914201 -3.980230 -1.698063
H -6.447773 -0.555255 1.567700
H -5.889194 0.145935 3.124279
H 0.857898 -4.667987 0.634429
H 4.729081 -3.260885 -0.110113
H 3.934952 -2.696829 -1.650613
H 1.790464 -1.738636 1.027489
H 5.569220 -0.662463 -0.811121
H 1.600742 0.557453 1.967554
H 5.374741 1.636818 0.137471
H -5.789517 3.389816 1.015198


%chk=000191743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191743

0 1
O -5.133212 -1.832862 -0.218359
O -0.405466 -1.506197 0.866629
O 2.864515 -3.500476 0.232039
O -5.982097 2.305686 2.178344
O -8.209009 1.626116 2.232728
O 1.535882 -2.949336 -1.647116
O 3.770856 3.289877 1.961013
O 6.009312 3.075016 1.580727
N 0.779332 0.170537 -2.405484
N -2.413028 -1.962487 -0.239656
N -5.101902 0.215589 0.874862
N 0.651693 -3.993927 0.267608
N 4.802026 2.609795 1.582917
C -2.838415 0.193322 -1.458207
C -2.998904 -0.624754 -0.116205
C -1.396464 0.469370 -1.777647
C -0.632066 1.635754 -1.367726
C 0.734078 1.417077 -1.771125
C -0.497564 -0.396476 -2.402936
C -4.494608 -0.809100 0.191858
C -0.962933 2.839350 -0.689621
C 1.756311 2.357571 -1.516544
C -1.165628 -2.296376 0.230660
C 0.054481 3.777157 -0.425343
C 1.400868 3.538097 -0.831871
C -0.739850 -3.759702 -0.091854
C -6.541159 0.189010 1.142944
C -7.029826 1.414386 1.894593
C 1.653766 -3.433611 -0.490170
C 4.012421 -2.801840 -0.374384
C 4.191759 -1.403259 0.195257
C 3.088932 -0.632825 0.647007
C 5.496787 -0.843557 0.227973
C 4.590950 1.219887 1.115052
C 3.284185 0.685180 1.107309
C 5.708216 0.469937 0.685037
H -3.401933 1.140901 -1.355234
H -3.330204 -0.390013 -2.259296
H -2.465001 -0.092743 0.691650
H -0.659427 -1.385291 -2.825725
H 1.619600 -0.330951 -2.686953
H -3.040359 -2.667586 -0.645479
H -1.994641 3.042337 -0.376706
H 2.790692 2.180256 -1.831094
H -0.183409 4.706816 0.103447
H 2.170735 4.282360 -0.602016
H -4.568078 1.010925 1.233691
H -1.382320 -4.472013 0.455985
H -0.869119 -3.944290 -1.172728
H -7.116416 0.109190 0.200382
H -6.817953 -0.707406 1.731643
H 0.885408 -4.202388 1.239483
H 4.887809 -3.435985 -0.159880
H 3.852954 -2.756063 -1.469912
H 2.073494 -1.043013 0.648144
H 6.354515 -1.440417 -0.104379
H 2.444459 1.299328 1.441228
H 6.704122 0.919004 0.718936
H -6.326271 3.095415 2.674904


