%chk=000192442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192442

0 1
S -7.587707 -0.670363 -0.536718
O -2.393453 -2.295489 -1.137635
N 4.342520 -0.992619 0.546574
N -7.079764 1.740613 0.361513
C 1.428222 -1.428313 0.606965
C 2.066928 -0.187893 -0.046152
C 2.438762 -2.591439 0.551204
C 3.398014 0.170065 0.632743
C 3.765767 -2.203215 1.222092
C 0.119743 -1.832001 -0.095867
C 5.669714 -0.647936 1.160540
C -1.015223 -0.836207 0.166566
C 6.374783 0.415542 0.351556
C -2.311032 -1.284349 -0.472190
C -3.524524 -0.434792 -0.231777
C 6.452059 0.310261 -1.046020
C 6.985587 1.498007 1.001093
C -4.773652 -1.009970 -0.512820
C -3.436404 0.889459 0.243960
C 7.134886 1.278978 -1.784031
C 7.671344 2.463286 0.257178
C 7.747730 2.356418 -1.134354
C -5.912490 -0.247673 -0.295471
C -4.575839 1.660621 0.458744
C -5.827922 1.087983 0.190563
C -8.084734 0.976013 0.032395
C -9.516153 1.296117 0.072318
H 1.207842 -1.198934 1.677496
H 1.382537 0.676854 0.003353
H 2.246121 -0.382883 -1.122860
H 2.629812 -2.870848 -0.504698
H 2.025664 -3.491046 1.041501
H 3.868505 1.025539 0.097367
H 3.218114 0.502346 1.677219
H 3.611221 -2.057300 2.312748
H 4.493269 -3.035989 1.104182
H 0.279790 -1.935465 -1.188372
H -0.196079 -2.841783 0.238654
H 6.301599 -1.568445 1.146603
H 5.586776 -0.342583 2.227097
H -1.165806 -0.707278 1.258630
H -0.734032 0.165440 -0.220833
H 5.963180 -0.527404 -1.546815
H 6.930456 1.591835 2.083052
H -4.828732 -2.033647 -0.898039
H -2.458616 1.330256 0.445137
H 7.191002 1.194838 -2.867901
H 8.146230 3.300511 0.765134
H 8.281457 3.108185 -1.711081
H -4.513583 2.685441 0.824460
H -9.982732 1.229538 -0.925473
H -10.073486 0.619126 0.741974
H -9.692569 2.325491 0.439196


%chk=000192442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192442

0 1
S -7.649714 -0.562812 -0.957698
O -2.495604 -2.609530 -0.755640
N 4.364029 -0.945467 0.583920
N -7.094378 1.762944 0.295745
C 1.462510 -1.549980 0.728966
C 2.012522 -0.211240 0.177088
C 2.541717 -2.645280 0.541201
C 3.377447 0.140960 0.801315
C 3.890805 -2.228964 1.157260
C 0.126405 -1.977000 0.074149
C 5.717559 -0.584683 1.067232
C -1.024400 -0.982229 0.314731
C 6.385114 0.510967 0.240365
C -2.378803 -1.476239 -0.201982
C -3.579931 -0.581233 -0.042180
C 6.237785 0.541405 -1.169725
C 7.204235 1.484382 0.863080
C -4.822516 -1.048419 -0.548359
C -3.503614 0.696441 0.591886
C 6.900259 1.522352 -1.939758
C 7.873562 2.464995 0.094528
C 7.723799 2.486891 -1.311045
C -5.954041 -0.233775 -0.412231
C -4.640574 1.510155 0.728949
C -5.880657 1.051599 0.226492
C -8.096916 1.107245 -0.249335
C -9.512348 1.587555 -0.339103
H 1.292416 -1.423530 1.822858
H 1.309156 0.620083 0.378636
H 2.128504 -0.292240 -0.922385
H 2.685381 -2.830558 -0.541899
H 2.205632 -3.595660 1.000569
H 3.775194 1.068065 0.351115
H 3.239460 0.337630 1.899257
H 3.776387 -2.157566 2.272761
H 4.654946 -3.003614 0.955256
H 0.272439 -2.110319 -1.015949
H -0.174989 -2.969992 0.459625
H 6.336332 -1.503722 1.010701
H 5.709892 -0.276209 2.145297
H -1.120210 -0.765536 1.400101
H -0.806856 -0.007023 -0.165658
H 5.588565 -0.205165 -1.640843
H 7.317933 1.476458 1.954837
H -4.846764 -2.031785 -1.027857
H -2.546872 1.055977 0.981585
H 6.777144 1.535722 -3.029049
H 8.504359 3.211388 0.591041
H 8.238751 3.247601 -1.908825
H -4.592877 2.489393 1.213492
H -9.842508 1.668114 -1.390811
H -10.204582 0.894923 0.173181
H -9.585984 2.579426 0.133813


