%chk=000205898.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205898

0 1
O -2.959324 -0.410122 1.707077
O 2.959234 -0.407955 -1.707760
N -1.443547 -1.072029 0.163513
N 1.443475 -1.071787 -0.165006
C -0.835656 -0.956867 -1.189083
C -0.560706 -1.608085 1.230235
C 0.560650 -1.606566 -1.232382
C 0.835580 -0.958290 1.187729
C -2.629229 -0.406570 0.529770
C 2.629140 -0.405852 -0.530450
C -3.444268 0.197119 -0.589918
C 3.444160 0.196487 0.589979
C -4.704740 0.919718 -0.055521
C 4.704739 0.919575 0.056495
C -4.323363 2.207761 0.679603
C -5.665594 1.211247 -1.213451
C 4.323538 2.208499 -0.677176
C 5.665543 1.209682 1.214822
H -0.758878 0.115410 -1.483308
H -1.500440 -1.459721 -1.927768
H -0.486610 -2.712123 1.106581
H -1.034771 -1.426495 2.228192
H 0.486587 -2.710757 -1.110077
H 1.034708 -1.423743 -2.230116
H 0.758767 0.113626 1.483257
H 1.500378 -1.462021 1.925803
H -3.748168 -0.602259 -1.297049
H -2.833524 0.909540 -1.179567
H 3.747936 -0.603710 1.296235
H 2.833431 0.908299 1.180381
H -5.211186 0.235550 0.674252
H 5.211167 0.236197 -0.674029
H -3.672492 1.982133 1.536987
H -3.798854 2.917177 0.033937
H -5.209442 2.715356 1.075747
H -5.211736 1.860919 -1.969047
H -6.567896 1.719443 -0.852804
H -5.990705 0.293225 -1.713464
H 5.209692 2.716455 -1.072687
H 3.799062 2.917228 -0.030729
H 3.672693 1.983917 -1.534856
H 5.990527 0.291056 1.713807
H 6.567921 1.718198 0.854817
H 5.211700 1.858535 1.971129


%chk=000205898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205898

0 1
O -3.154899 -0.565893 1.751348
O 3.154884 -0.564071 -1.752156
N -1.425828 -0.744396 0.209193
N 1.425697 -0.743999 -0.210301
C -0.866174 -0.574725 -1.157398
C -0.509040 -1.258334 1.250836
C 0.508979 -1.256966 -1.252481
C 0.866023 -0.575809 1.156459
C -2.734655 -0.412433 0.559582
C 2.734491 -0.411521 -0.560326
C -3.630865 0.112638 -0.571795
C 3.630728 0.112136 0.571691
C -4.957391 0.730504 -0.067477
C 4.957353 0.730423 0.068140
C -4.704416 2.064586 0.673041
C -5.938380 0.923863 -1.246732
C 4.704604 2.065536 -0.670597
C 5.938415 0.922046 1.247617
H -0.757733 0.501591 -1.401985
H -1.541543 -1.023864 -1.909915
H -0.395820 -2.357032 1.159814
H -0.981151 -1.053824 2.226211
H 0.395913 -2.355777 -1.162631
H 0.981065 -1.051354 -2.227637
H 0.757424 0.500240 1.402146
H 1.541454 -1.025628 1.908514
H -3.852805 -0.737759 -1.252037
H -3.083120 0.858529 -1.182935
H 3.852536 -0.739071 1.250964
H 3.083045 0.857384 1.183671
H -5.397357 0.020140 0.658685
H 5.397167 0.020932 -0.658967
H -4.037971 1.909777 1.538838
H -4.242988 2.811170 -0.003715
H -5.653545 2.491169 1.046678
H -5.519581 1.614181 -2.005242
H -6.893218 1.355728 -0.894431
H -6.165656 -0.035783 -1.749030
H 5.653791 2.492392 -1.043773
H 4.243423 2.811331 0.007196
H 4.038027 1.911999 -1.536517
H 6.165489 -0.038293 1.748684
H 6.893343 1.354150 0.895853
H 5.519782 1.611485 2.007016


