%chk=000297858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297858

0 1
O -2.296429 1.042498 -3.215710
O -3.948448 2.485115 -2.758246
O -4.368477 -0.151482 0.946489
O 3.224213 -1.958046 -1.015731
O -0.993254 -2.472263 -1.019222
O 2.780634 -1.493581 1.189868
N -2.882288 -0.170236 -0.798080
N -2.070171 -2.580935 0.990148
N 1.499795 -3.031177 -0.034574
C -2.836851 1.300047 -0.897523
C -1.465919 1.872922 -0.484163
C -1.037348 1.405791 0.880934
C -3.133645 1.698788 -2.347160
C -3.597381 -0.771220 0.237264
C 0.216924 0.800124 1.044945
C -1.874534 1.576553 1.994800
C -3.379684 -2.285902 0.381588
C 0.630513 0.374227 2.310437
C -1.457282 1.146160 3.256312
C -0.204497 0.544302 3.417698
C -0.930932 -2.641714 0.189991
C 0.363554 -3.015936 0.909916
C 3.973629 0.335256 -1.237467
C 4.400146 -1.082006 -0.984859
C 3.976668 0.853638 -2.540034
C 3.567611 1.142785 -0.164481
C 2.503574 -2.067081 0.154035
C 3.586462 2.177281 -2.764276
C 3.175744 2.463667 -0.393884
C 3.187868 2.983039 -1.692900
H -3.655935 1.739093 -0.247117
H -0.701505 1.601770 -1.247145
H -1.509951 2.984051 -0.494975
H -2.170237 -0.690974 -1.334059
H 0.881622 0.668367 0.190426
H -2.858863 2.031004 1.879049
H -3.466182 -2.791230 -0.613113
H -4.191850 -2.701299 1.025410
H 1.615089 -0.090863 2.426844
H -2.111753 1.282805 4.116441
H -2.022446 -2.524404 2.003746
H 0.122305 0.219787 4.403195
H 0.272685 -4.043281 1.346408
H 0.570836 -2.325387 1.769525
H -2.479594 1.261969 -4.169530
H 5.001054 -1.519885 -1.804977
H 4.921704 -1.209498 -0.017253
H 1.248828 -3.270023 -1.006415
H 4.277115 0.227254 -3.378715
H 3.548344 0.728854 0.848294
H 3.592106 2.580061 -3.775827
H 2.860229 3.088200 0.441189
H 2.887007 4.014417 -1.869718


%chk=000297858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297858

0 1
O -3.921025 0.408710 -3.133174
O -4.167658 2.643542 -2.552122
O -4.677765 -0.429020 1.156219
O 3.324300 -1.899670 -1.180254
O -1.218731 -2.489238 -1.169880
O 2.975580 -1.825819 1.159956
N -3.209265 -0.371324 -0.667179
N -2.098308 -2.681409 0.971135
N 1.348490 -2.620515 -0.332010
C -3.313232 1.071259 -0.861703
C -1.946189 1.810088 -0.635576
C -1.321336 1.495763 0.717220
C -3.855775 1.476037 -2.232791
C -3.863498 -1.003220 0.370405
C -0.022991 0.930453 0.793250
C -2.015030 1.765490 1.926057
C -3.493147 -2.496647 0.523169
C 0.572658 0.637073 2.043462
C -1.424860 1.478326 3.176152
C -0.129446 0.911035 3.239870
C -1.050767 -2.665542 0.083847
C 0.342943 -2.905916 0.681619
C 4.493342 0.299403 -1.121071
C 4.642783 -1.201558 -0.994659
C 4.651577 0.935166 -2.378745
C 4.181970 1.087772 0.017413
C 2.572796 -2.092121 -0.008032
C 4.496176 2.334163 -2.500716
C 4.022475 2.485830 -0.103419
C 4.179764 3.112192 -1.362394
H -4.041947 1.433155 -0.111812
H -1.246755 1.527382 -1.444972
H -2.145655 2.893292 -0.741521
H -2.581530 -0.930344 -1.262739
H 0.532081 0.722875 -0.130370
H -3.025258 2.190861 1.895116
H -3.611962 -3.019191 -0.442474
H -4.174192 -2.936792 1.267038
H 1.573834 0.192022 2.076499
H -1.976143 1.694588 4.098171
H -1.907961 -2.672759 1.975422
H 0.329363 0.690082 4.210385
H 0.406226 -3.956802 1.035103
H 0.515423 -2.254127 1.557833
H -4.254781 0.741784 -4.010522
H 5.259886 -1.624159 -1.802976
H 5.042227 -1.492913 -0.008101
H 1.059801 -2.683720 -1.312793
H 4.893762 0.332095 -3.262634
H 4.059266 0.594728 0.988503
H 4.623015 2.816421 -3.476429
H 3.777124 3.085186 0.780276
H 4.059150 4.197431 -1.455255


