%chk=000186855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186855

0 1
S -3.103381 -1.995029 -0.898654
S 1.477504 -1.225385 1.721050
O -1.437106 -1.865887 1.701047
O -5.147121 -0.682034 -0.333521
O 1.465762 1.675981 0.363017
O -5.568388 1.393528 -1.078975
O 0.653888 0.120024 -1.040361
O -1.252429 2.228230 0.559418
O 5.227341 -0.071353 -1.906700
N -2.832506 0.589113 0.754347
N 3.991303 0.980173 -0.311389
C -0.733981 -1.970934 0.457189
C -1.513275 -2.806572 -0.551336
C 0.677071 -2.508001 0.709666
C -3.230157 0.700868 -0.663238
C 2.972094 -0.084450 -0.289870
C -2.594757 -0.370659 -1.547858
C 3.098824 -0.960900 0.961217
C -4.758050 0.575946 -0.724523
C 1.571222 0.544335 -0.366626
C -1.776038 1.357151 1.254567
C 5.086650 0.902166 -1.188645
C -1.386193 1.069285 2.667783
C 6.017378 2.076277 -1.139116
H -0.689466 -0.893337 0.126305
H -1.751321 -3.819424 -0.176772
H -0.939738 -2.945776 -1.487651
H 1.217590 -2.679439 -0.238664
H 0.674846 -3.464811 1.259887
H -2.943566 1.731025 -1.044590
H 3.103066 -0.726415 -1.217848
H -1.484228 -0.253783 -1.564867
H -2.923051 -0.279145 -2.600745
H 3.719281 -0.469506 1.743656
H 3.613417 -1.911390 0.728213
H -3.085882 -0.299055 1.218982
H 3.825469 1.780103 0.297356
H -1.682411 -2.740756 2.059808
H -1.102563 0.006214 2.807468
H -0.517441 1.675900 2.967134
H -2.197474 1.284891 3.376864
H 6.459852 2.224626 -0.145128
H 6.852434 1.922621 -1.844300
H 5.522969 3.013914 -1.430436
H -6.136426 -0.812567 -0.380874
H 0.515885 2.096041 0.329910


%chk=000186855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186855

0 1
S -3.222851 -2.502117 -0.554903
S 2.139385 -1.432827 1.235054
O -1.259050 -1.819043 1.895323
O -5.142589 0.942336 0.788515
O 1.192252 1.977092 -0.568266
O -5.586201 0.218873 -1.371231
O 0.461783 0.013635 -1.581816
O -1.249533 2.262149 -0.053837
O 5.644470 0.261253 -1.013345
N -2.514539 0.452790 0.629669
N 3.658302 1.182642 -0.250971
C -0.595245 -2.167054 0.619986
C -1.458185 -3.113640 -0.238289
C 0.815095 -2.747020 0.862129
C -3.238978 0.376775 -0.638930
C 2.832209 0.251454 -1.025516
C -2.875459 -0.874085 -1.477789
C 2.891280 -1.206305 -0.505104
C -4.760823 0.482613 -0.471254
C 1.377150 0.735627 -1.098006
C -1.552051 1.387776 0.855041
C 5.038668 1.143690 -0.325010
C -0.821299 1.347293 2.180402
C 5.778480 2.212966 0.470377
H -0.496403 -1.206387 0.093864
H -1.597750 -4.100603 0.243017
H -0.977799 -3.269410 -1.219545
H 1.169605 -3.311924 -0.017404
H 0.818875 -3.431261 1.729638
H -2.922556 1.267173 -1.223319
H 3.230502 0.206644 -2.062989
H -1.809312 -0.838240 -1.752669
H -3.497974 -0.898209 -2.385225
H 3.943675 -1.523870 -0.461960
H 2.326201 -1.854452 -1.193435
H -2.608243 -0.328207 1.296994
H 3.161732 1.949609 0.209267
H -1.484646 -2.651666 2.383568
H -1.292803 0.665997 2.903018
H 0.215914 0.998534 2.017409
H -0.776463 2.369510 2.592021
H 5.106333 2.928663 0.973847
H 6.412991 1.724586 1.230242
H 6.449682 2.765626 -0.209047
H -6.135435 1.020022 0.817024
H 0.168502 2.242799 -0.434350


