%chk=000111961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111961

0 1
O 1.872314 2.002455 1.691928
O 0.797238 -2.623256 1.691091
O -2.671196 0.620609 1.689425
O 3.045149 -1.676799 0.752117
O -1.118428 3.327807 2.631217
O -2.974286 -1.799157 0.748115
O 3.439566 -0.696063 2.633847
O -0.070539 3.475360 0.750133
O -2.324439 -2.631529 2.630451
N 2.722081 -0.977132 1.688641
N -0.515628 2.846353 1.686744
N -2.207995 -1.869396 1.685583
C 1.054852 0.946621 1.685256
C 0.291616 -1.387375 1.684673
C -1.348076 0.440611 1.683950
C 1.358386 -0.424380 1.683283
C -0.312517 1.388976 1.682431
C -1.047459 -0.964731 1.681865
C 3.781530 1.591246 0.202759
C -0.512356 -4.070564 0.200427
C -3.268970 2.479499 0.199828
C 3.340100 1.967262 1.606717
C 0.032873 -3.876728 1.604883
C -3.374583 1.909337 1.603792
C 5.207878 1.022600 0.207280
C -1.717942 -5.021567 0.203665
C -3.489641 3.999084 0.204102
C 5.656709 0.638745 -1.199028
C -2.273552 -5.218018 -1.203175
C -3.380489 4.579649 -1.202142
H 3.723630 2.474076 -0.467588
H 3.084259 0.857989 -0.253067
H 0.281706 -4.461565 -0.469421
H -0.798426 -3.099942 -0.255305
H -4.004260 1.987898 -0.470832
H -2.285107 2.242181 -0.255501
H 3.533739 3.033745 1.851832
H 3.734496 1.325548 2.416868
H 0.859424 -4.577794 1.850438
H -0.720716 -3.897658 2.414419
H -4.395121 1.543819 1.848439
H -3.016409 2.571838 2.414039
H 5.258334 0.130939 0.868993
H 5.910594 1.763240 0.637059
H -2.515972 -4.619640 0.864779
H -1.428210 -6.000551 0.633449
H -2.743186 4.488626 0.866397
H -4.482745 4.237383 0.633087
H 5.638478 1.493754 -1.884022
H 6.681077 0.246506 -1.191390
H 5.016605 -0.142855 -1.627814
H -1.523361 -5.629521 -1.887620
H -3.125396 -5.909072 -1.196450
H -2.630061 -4.272779 -1.632030
H -4.111179 4.136226 -1.887748
H -3.553133 5.662876 -1.194716
H -2.383157 4.416211 -1.630054


%chk=000111961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111961

0 1
O 2.285046 1.626368 2.534034
O 0.265122 -2.790551 2.528292
O -2.550143 1.168087 2.530267
O 2.808455 -2.126857 1.429993
O -0.617356 3.466244 3.450009
O -3.244479 -1.361565 1.417410
O 3.308401 -1.192439 3.452422
O 0.438137 3.495711 1.425572
O -2.693585 -2.269311 3.438781
N 2.532400 -1.371605 2.437433
N -0.076588 2.881458 2.435170
N -2.456167 -1.504485 2.427303
C 1.215481 0.769481 2.430761
C 0.057027 -1.435788 2.427878
C -1.273174 0.670253 2.428571
C 1.246711 -0.645601 2.422896
C -0.063453 1.404798 2.423111
C -1.184006 -0.755026 2.419576
C 3.378520 1.255126 0.292998
C -0.603784 -3.557024 0.288913
C -2.776663 2.300136 0.288486
C 3.582866 1.432670 1.802556
C -0.553024 -3.818125 1.799444
C -3.029842 2.389602 1.798520
C 4.739269 1.180872 -0.442800
C -1.348023 -4.701245 -0.442712
C -3.389077 3.518716 -0.445207
C 4.565522 1.011323 -1.967406
C -1.405823 -4.472516 -1.968471
C -3.159720 3.453238 -1.970500
H 2.785219 2.104828 -0.094594
H 2.810559 0.327297 0.085121
H 0.429133 -3.468837 -0.097721
H -1.123793 -2.602540 0.076318
H -3.220400 1.363090 -0.097969
H -1.689707 2.267694 0.078285
H 4.102321 2.377708 2.027533
H 4.144864 0.599971 2.259424
H 0.004575 -4.740733 2.026489
H -1.555213 -3.886155 2.256374
H -4.107838 2.368960 2.024627
H -2.587547 3.292147 2.254331
H 5.330811 0.333689 -0.041831
H 5.321798 2.101431 -0.236931
H -2.378139 -4.786984 -0.042832
H -0.843538 -5.665649 -0.231722
H -2.945454 4.452422 -0.045321
H -4.476705 3.568252 -0.236015
H 3.993283 1.853940 -2.398329
H 5.544723 0.970859 -2.477521
H 4.022739 0.077252 -2.203150
H -0.389434 -4.405342 -2.399217
H -1.934812 -5.299434 -2.475467
H -1.937962 -3.533269 -2.208272
H -3.610453 2.540080 -2.401829
H -3.609127 4.325398 -2.478494
H -2.079851 3.442978 -2.208487


