%chk=000217315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217315

0 1
O 2.784695 -2.245261 0.121692
O -1.018583 2.379031 -1.166997
O 4.880212 1.088917 0.858213
O 4.765695 -1.411096 -0.585662
N -1.393358 0.489882 0.115154
C -3.459384 -0.714541 0.659509
C -2.809588 0.329344 -0.050466
C -4.849080 -0.880306 0.492005
C -3.537874 1.178279 -0.899167
C 0.863939 1.353620 -0.117262
C -5.567379 -0.026634 -0.359732
C -2.717897 -1.638792 1.575078
C -0.586082 1.484108 -0.467205
C -4.911814 0.993720 -1.047617
C -5.580605 -1.965870 1.217435
C 1.556631 0.153051 -0.283559
C 2.924036 0.067648 0.022379
C 1.539409 2.506484 0.330817
C 3.573083 1.222353 0.511446
C 2.887676 2.446228 0.657403
C 3.644994 -1.205986 -0.192143
C 3.267048 -3.610877 -0.083109
C 3.194455 -3.967398 -1.553053
H -0.951672 -0.187551 0.751926
H -3.034524 1.984842 -1.443184
H -6.639290 -0.160523 -0.483952
H -1.642176 -1.430548 1.649549
H -3.120084 -1.582261 2.597943
H -2.814844 -2.682637 1.240548
H -5.473620 1.654722 -1.707506
H -5.486453 -1.852263 2.306758
H -6.654339 -1.975720 0.988266
H -5.187557 -2.958055 0.954107
H 1.046969 -0.741036 -0.662545
H 0.990447 3.450269 0.417827
H 3.409279 3.330928 1.013002
H 4.292257 -3.686107 0.322283
H 2.553807 -4.178687 0.541289
H 5.288233 1.945789 1.158007
H 3.414877 -5.028369 -1.720044
H 2.202154 -3.761165 -1.972940
H 3.922509 -3.385331 -2.138992


%chk=000217315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217315

0 1
O 2.473893 -2.247650 0.247587
O -1.102519 2.830617 -0.627086
O 5.053654 1.176242 0.338907
O 4.701236 -1.553996 0.172518
N -1.430540 0.624582 0.129963
C -3.394588 -0.779893 0.474293
C -2.845522 0.471703 0.041990
C -4.802428 -0.977510 0.399919
C -3.681210 1.505758 -0.454078
C 0.846265 1.510144 -0.066621
C -5.627395 0.063128 -0.099535
C -2.467468 -1.869406 0.997842
C -0.639489 1.718301 -0.220446
C -5.070484 1.288250 -0.521355
C -5.449410 -2.282438 0.842277
C 1.472702 0.246816 0.004496
C 2.879460 0.103171 0.133568
C 1.662362 2.671999 -0.032509
C 3.675376 1.288514 0.191797
C 3.052306 2.562606 0.100586
C 3.484740 -1.260512 0.182408
C 2.945888 -3.663677 0.246637
C 3.138515 -4.173240 -1.184993
H -0.933698 -0.171505 0.530964
H -3.232783 2.448652 -0.769521
H -6.710728 -0.094283 -0.154538
H -1.909080 -1.544117 1.899594
H -3.025566 -2.772699 1.284086
H -1.724731 -2.183877 0.235818
H -5.720227 2.083025 -0.903946
H -5.256328 -2.501213 1.909864
H -6.543122 -2.235610 0.707380
H -5.080320 -3.147657 0.259088
H 0.904935 -0.684829 -0.074253
H 1.174153 3.647555 -0.120822
H 3.671846 3.468250 0.135276
H 3.887189 -3.720976 0.820722
H 2.144453 -4.205344 0.775066
H 5.474728 2.073789 0.363171
H 3.403738 -5.246805 -1.166212
H 2.212538 -4.056610 -1.774398
H 3.953863 -3.627055 -1.688003


