%chk=000276145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276145

0 1
O -3.362808 1.349108 1.381073
O -2.752776 3.436032 0.432073
O 4.117820 1.635591 1.310196
O 3.865286 1.677637 -1.050319
O 0.581973 -3.126193 -1.046636
N -1.400938 -2.188415 0.859069
C -0.574402 -1.213652 -1.966636
C -2.061992 -0.066800 -0.197481
C -1.183413 0.009472 -1.316199
C -2.556039 -1.337906 0.440615
C -0.677454 -1.643989 2.049045
C 0.808794 -2.032883 1.913032
C 1.563076 -1.054290 1.057933
C 1.395730 -1.008161 -0.329797
C 0.440319 -1.925849 -1.050095
C -2.509406 1.148160 0.296791
C -0.837858 1.253562 -1.864116
C -1.622772 -2.181514 -2.513865
C -2.146250 2.398970 -0.268368
C 2.469157 -0.173226 1.716848
C 2.144435 -0.114611 -1.143862
C -1.829470 -3.600627 1.076579
C -1.308953 2.482704 -1.358392
C 3.177772 0.693121 0.922642
C 3.021682 0.718167 -0.496354
C -3.535531 2.799970 1.493537
C 4.577414 2.283516 0.075895
H 0.040733 -0.878011 -2.851931
H -3.257550 -1.103701 1.274559
H -3.147907 -1.904325 -0.325050
H -1.078176 -2.020425 3.013243
H -0.776380 -0.536066 2.080876
H 0.898124 -3.050376 1.459760
H 1.262272 -2.118670 2.919037
H -0.167219 1.290863 -2.724264
H -2.341789 -2.491373 -1.742272
H -2.186772 -1.732138 -3.337069
H -1.144167 -3.102250 -2.878414
H 2.591744 -0.193487 2.795638
H 2.034344 -0.097520 -2.224525
H -0.944521 -4.204797 1.343311
H -2.202530 -4.013911 0.124539
H -2.596029 -3.737808 1.851535
H -1.023085 3.431230 -1.802209
H -3.115722 3.115043 2.457644
H -4.594333 3.027847 1.314671
H 5.646250 2.061483 -0.040357
H 4.291618 3.342197 0.127470


%chk=000276145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276145

0 1
O -3.628440 1.443113 1.291341
O -3.239681 3.505224 0.139351
O 4.412466 1.447264 1.391019
O 3.869385 1.758286 -0.927887
O 0.612386 -3.131752 -0.995581
N -1.359669 -2.102363 0.886931
C -0.619560 -1.194617 -1.906120
C -2.162187 0.016261 -0.184269
C -1.308111 0.052907 -1.341261
C -2.533867 -1.247351 0.577868
C -0.628661 -1.692358 2.109064
C 0.869733 -2.094637 2.060235
C 1.672002 -1.149426 1.184333
C 1.352088 -0.970251 -0.194253
C 0.381160 -1.882477 -0.928451
C -2.720920 1.238299 0.208681
C -1.103597 1.285735 -2.013206
C -1.586562 -2.212146 -2.554563
C -2.499666 2.454125 -0.466878
C 2.694531 -0.364195 1.792410
C 2.050101 0.003527 -0.974848
C -1.612957 -3.556846 0.846238
C -1.693763 2.511137 -1.602093
C 3.377787 0.558917 1.001079
C 3.057070 0.739932 -0.357516
C -3.749150 2.920331 1.404848
C 4.864718 2.087950 0.125226
H 0.025675 -0.833517 -2.738918
H -3.087614 -0.964169 1.499596
H -3.235856 -1.844363 -0.032976
H -1.106087 -2.146829 3.010550
H -0.703510 -0.594546 2.210156
H 0.959537 -3.135699 1.699684
H 1.271719 -2.072490 3.089603
H -0.454174 1.297161 -2.896053
H -2.347362 -2.576069 -1.845687
H -2.111292 -1.749331 -3.408827
H -1.018514 -3.090401 -2.905820
H 2.936613 -0.485248 2.852035
H 1.828826 0.153868 -2.033786
H -0.667606 -4.091322 0.642868
H -2.295854 -3.799354 0.016532
H -2.054565 -3.934612 1.796575
H -1.521933 3.444925 -2.142292
H -3.118263 3.270748 2.245025
H -4.810621 3.184496 1.521789
H 5.846486 1.664234 -0.158949
H 4.890062 3.179630 0.266595


