%chk=000225539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225539

0 1
O 3.136910 0.212945 2.255579
O -3.140767 -0.208492 2.253274
O 0.000020 -0.003413 -1.807901
O 3.891933 1.125426 -2.582377
O -3.891118 -1.134390 -2.582879
N 1.173345 -0.227934 0.178255
N -1.175119 0.226547 0.176556
N 2.933912 1.309906 -0.479510
N -2.935177 -1.313024 -0.478561
N 4.136050 3.128469 -1.469236
N -4.136372 -3.134319 -1.464402
C 2.489527 -0.117466 -0.495290
C -2.490694 0.114274 -0.497890
C 3.486294 -0.990747 0.243706
C -3.488112 0.989663 0.237736
C -0.000537 -0.001748 -0.591454
C 3.801539 -0.812931 1.604849
C -3.804681 0.815634 1.599065
C 4.148353 -2.013648 -0.445215
C -4.149456 2.010683 -0.454653
C 4.731792 -1.615258 2.275753
C -4.735531 1.619872 2.266848
C 5.082808 -2.828513 0.204734
C -5.084482 2.827403 0.192139
C 5.371482 -2.630066 1.557490
C -5.374465 2.632725 1.545163
C 3.660913 1.796773 -1.590321
C -3.661123 -1.802960 -1.588713
H 2.376343 -0.437249 -1.581193
H -2.376482 0.431031 -1.584574
H 1.176192 -0.015998 1.178856
H -1.178882 0.017393 1.177740
H 3.066281 1.728497 0.442323
H -3.068410 -1.729061 0.444300
H 3.937019 -2.172087 -1.507028
H -3.937097 2.166164 -1.516698
H 4.956143 -1.456269 3.325171
H -4.960906 1.463799 3.316484
H 5.587838 -3.616995 -0.350843
H -5.588933 3.614370 -0.366106
H 6.100787 -3.266920 2.059166
H -6.104214 3.271009 2.044369
H 3.421676 0.295976 3.197814
H -3.426444 -0.288892 3.195461
H 3.639585 3.785450 -0.886851
H 4.477483 3.539936 -2.332494
H -3.640494 -3.789674 -0.879689
H -4.476932 -3.548191 -2.326856


%chk=000225539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225539

0 1
O 2.893749 0.125420 2.376899
O -2.898733 -0.121926 2.374029
O 0.000059 -0.003836 -1.858087
O 4.135159 0.922795 -2.562623
O -4.135156 -0.931733 -2.564042
N 1.170074 -0.025526 0.175207
N -1.172077 0.022735 0.173934
N 3.022428 1.363411 -0.552336
N -3.024523 -1.367149 -0.551458
N 4.187227 3.080443 -1.664587
N -4.189294 -3.086729 -1.659780
C 2.485896 -0.014428 -0.454163
C -2.487285 0.010638 -0.456722
C 3.461236 -0.939000 0.280515
C -3.462718 0.937916 0.274396
C -0.000608 -0.002549 -0.591971
C 3.670473 -0.845537 1.680362
C -3.673704 0.848073 1.674217
C 4.226551 -1.885716 -0.436891
C -4.226210 1.883677 -0.446202
C 4.595460 -1.670577 2.352472
C -4.598643 1.675678 2.343219
C 5.161130 -2.722132 0.216625
C -5.160707 2.722638 0.204170
C 5.344482 -2.614708 1.612871
C -5.345837 2.618778 1.600451
C 3.797402 1.737270 -1.648800
C -3.798762 -1.743721 -1.647512
H 2.367140 -0.360843 -1.495018
H -2.367246 0.354046 -1.498423
H 1.147684 0.016630 1.196861
H -1.150721 -0.016793 1.195714
H 2.945092 1.953599 0.277027
H -2.948247 -1.955012 0.279650
H 4.097631 -1.942556 -1.522723
H -4.095926 1.937831 -1.532013
H 4.734679 -1.582301 3.438395
H -4.739232 1.590196 3.429191
H 5.745185 -3.445473 -0.361170
H -5.743320 3.445175 -0.376081
H 6.066571 -3.256539 2.128911
H -6.067889 3.262579 2.114082
H 3.153559 0.159736 3.329955
H -3.159732 -0.153674 3.326850
H 3.747461 3.789594 -1.081670
H 4.752945 3.376353 -2.456195
H -3.750479 -3.794424 -1.074383
H -4.754430 -3.384628 -2.451058


