%chk=000258254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258254

0 1
O 3.001292 -2.900352 0.918163
O 1.103401 1.049156 -2.439849
O 1.934249 -3.039472 -1.085324
O -0.562482 0.122310 -1.214463
O -3.795308 -2.705221 3.045959
O -4.215983 5.888352 -2.832121
O -2.752743 -4.007589 4.422738
O -2.606028 6.518789 -4.134147
N 3.561043 -0.351347 -0.235445
N -2.811265 -3.325516 3.412857
N -3.119894 5.744685 -3.344884
C 4.310248 0.396679 0.827732
C 3.318718 1.253024 1.633564
C 4.327703 -1.538918 -0.726082
C 3.184830 0.546833 -1.373057
C 4.025188 1.985401 2.780951
C 4.304622 -2.669424 0.311593
C 2.007104 -0.068091 -2.137538
C 3.048777 2.843317 3.581980
C 1.890604 -3.005057 0.123068
C -0.154886 1.033268 -1.899936
C 0.680688 -3.092005 0.995949
C -0.899882 2.265307 -2.293610
C -0.476359 -2.408138 0.600695
C -2.168208 2.474145 -1.729937
C 0.708434 -3.846962 2.177788
C -0.355630 3.185760 -3.200649
C -1.624746 -2.482089 1.392470
C -2.899281 3.613063 -2.071704
C -0.436173 -3.928805 2.970989
C -1.080877 4.326850 -3.548137
C -1.592603 -3.243865 2.568259
C -2.345423 4.527820 -2.977843
H 4.787846 -0.341495 1.509639
H 5.127975 1.026928 0.418911
H 2.510273 0.604492 2.029608
H 2.810593 1.980884 0.971380
H 5.384374 -1.312572 -0.987471
H 3.840424 -1.912406 -1.661115
H 4.026462 0.767825 -2.062272
H 2.860126 1.533769 -0.959098
H 4.839686 2.621550 2.382617
H 4.513027 1.252580 3.453802
H 4.628828 -3.625431 -0.136674
H 4.898474 -2.436553 1.216932
H 2.273401 -0.446919 -3.137795
H 1.473098 -0.854092 -1.562553
H 2.576862 3.611166 2.958534
H 3.556448 3.357075 4.406340
H 2.245092 2.238965 4.019403
H -0.481401 -1.808158 -0.321843
H -2.578446 1.741170 -1.026312
H 1.626515 -4.358936 2.476484
H 0.634733 3.004896 -3.631803
H -2.539642 -1.952815 1.102470
H -3.891940 3.796081 -1.643269
H -0.440978 -4.513635 3.897222
H -0.675459 5.059623 -4.255469


%chk=000258254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258254

0 1
O 2.635996 -2.713261 0.843257
O 0.680930 1.561578 -1.230332
O 1.785283 -3.315435 -1.244640
O -1.100123 0.056015 -1.297326
O -4.575085 -3.616243 1.811342
O -4.777812 5.012081 -4.720837
O -3.598749 -3.275572 3.844197
O -2.978241 6.409388 -4.608977
N 3.795366 -0.015213 0.136766
N -3.545225 -3.412003 2.561530
N -3.565961 5.285007 -4.372382
C 4.933709 0.544525 0.901847
C 4.508886 1.263131 2.200574
C 4.085589 -1.250607 -0.612826
C 2.958476 0.967054 -0.581386
C 5.714059 1.837799 2.979824
C 3.985767 -2.530852 0.239183
C 1.485185 0.548595 -0.481741
C 5.294492 2.567399 4.273996
C 1.610636 -3.089004 -0.020108
C -0.615335 1.181272 -1.571836
C 0.293057 -3.171722 0.682393
C -1.346939 2.267319 -2.296628
C -0.867330 -3.383314 -0.105329
C -2.683479 2.011607 -2.699619
C 0.186678 -3.031977 2.090905
C -0.742858 3.520228 -2.578682
C -2.131852 -3.463279 0.504169
C -3.419320 2.997184 -3.381700
C -1.072031 -3.113764 2.713903
C -1.467577 4.515204 -3.260790
C -2.211571 -3.328900 1.907382
C -2.795555 4.235383 -3.651044
H 5.602889 -0.295234 1.172974
H 5.546762 1.241883 0.276493
H 3.949833 0.546542 2.833278
H 3.806169 2.088410 1.964773
H 5.111657 -1.243558 -1.056963
H 3.384395 -1.344037 -1.459410
H 3.239804 1.077637 -1.654799
H 3.083053 1.958616 -0.112692
H 6.275664 2.536462 2.326111
H 6.415393 1.015390 3.230523
H 4.220221 -3.413822 -0.384499
H 4.649263 -2.494095 1.117630
H 1.298464 -0.442904 -0.929123
H 1.146313 0.533729 0.568593
H 4.621986 3.417057 4.051175
H 6.171938 2.965272 4.815641
H 4.756128 1.884914 4.957970
H -0.758761 -3.471741 -1.190057
H -3.124170 1.037363 -2.467234
H 1.090557 -2.860645 2.680385
H 0.286462 3.700316 -2.259582
H -3.044566 -3.617608 -0.076130
H -4.450070 2.830847 -3.704265
H -1.189941 -3.014897 3.795791
H -1.033010 5.490382 -3.493971


