%chk=000202948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202948

0 1
S -6.999219 0.955239 -0.469237
O 2.458966 1.545533 -2.098522
O 4.568090 0.116426 2.160227
O 4.865363 1.609524 -0.378321
N 0.256114 -2.747854 0.047471
N -1.337968 0.548685 1.139143
C 0.220854 -1.509976 0.892870
C -1.035631 -3.508978 0.081627
C -2.212446 -1.312461 0.129037
C -1.072885 -0.766870 0.708903
C -2.253210 -2.685265 -0.428181
C -3.244154 -0.310082 0.176758
C -2.666986 0.850201 0.809129
C 1.434131 -0.652815 0.564922
C -0.860794 -4.782830 -0.748851
C -4.585856 -0.265365 -0.242445
C -3.409140 2.032266 1.020383
C 2.499308 -0.607008 1.465151
C 1.465937 0.097494 -0.613790
C -5.295680 0.901936 -0.025503
C -4.725565 2.040783 0.597088
C 2.603785 0.866058 -0.920556
C 3.637159 0.166196 1.160154
C 3.724084 0.878461 -0.057354
C -6.958299 1.735101 -2.103776
C 3.408263 2.590684 -2.436182
C 5.686682 1.041399 2.136262
C 5.836011 0.820544 -1.127940
H 0.276304 -1.856742 1.966308
H -1.221676 -3.786502 1.153004
H -3.194324 -3.197967 -0.147477
H -2.259979 -2.638310 -1.536653
H 0.498820 -2.503746 -0.920539
H -0.665325 1.174140 1.539521
H 0.016497 -5.351026 -0.408373
H -1.734517 -5.436576 -0.657111
H -0.712616 -4.573191 -1.813657
H -5.035903 -1.135461 -0.719559
H -2.957965 2.894457 1.499512
H 2.486048 -1.172047 2.395354
H 0.622446 0.105966 -1.302980
H -5.340200 2.930322 0.745107
H -6.530629 2.741608 -2.060791
H -7.992463 1.809940 -2.461909
H -6.383538 1.139940 -2.820459
H 3.688909 3.176051 -1.553783
H 2.837867 3.188402 -3.157066
H 4.286878 2.132201 -2.897304
H 5.374522 2.036955 1.802195
H 6.465017 0.635748 1.484673
H 5.999240 1.043363 3.187249
H 6.645610 1.538824 -1.288879
H 5.399843 0.485586 -2.073196
H 6.167525 -0.034258 -0.531656


%chk=000202948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202948

0 1
S -7.086814 0.976836 -0.723821
O 2.676565 1.634955 -2.088966
O 4.998385 -0.385282 1.799159
O 5.102850 1.307459 -0.559084
N 0.264340 -2.757618 0.256583
N -1.352187 0.599590 1.087880
C 0.243688 -1.445762 0.978651
C -1.022467 -3.512314 0.297601
C -2.191084 -1.295163 0.120981
C -1.062999 -0.723560 0.709006
C -2.213871 -2.730348 -0.347305
C -3.227421 -0.279967 0.114084
C -2.669956 0.902258 0.727359
C 1.493832 -0.642195 0.609347
C -0.818767 -4.887600 -0.358660
C -4.572352 -0.251018 -0.339201
C -3.417309 2.088387 0.890086
C 2.666933 -0.778432 1.383800
C 1.508692 0.198490 -0.531120
C -5.319336 0.932590 -0.177948
C -4.751218 2.090320 0.433353
C 2.692659 0.868761 -0.900758
C 3.860626 -0.112955 1.020715
C 3.890901 0.695617 -0.150981
C -6.870679 1.796257 -2.417616
C 3.006880 3.069691 -1.925160
C 5.791299 0.769660 2.276455
C 5.688600 0.689918 -1.776557
H 0.300995 -1.677105 2.064922
H -1.260937 -3.656222 1.371569
H -3.169144 -3.220596 -0.071352
H -2.138966 -2.792828 -1.454190
H 0.592453 -2.627726 -0.713478
H -0.679658 1.247507 1.493349
H -0.025743 -5.450602 0.162022
H -1.752158 -5.478998 -0.331963
H -0.521086 -4.776915 -1.419931
H -5.033563 -1.127801 -0.805588
H -2.990243 2.979093 1.364199
H 2.685956 -1.424406 2.267337
H 0.612043 0.345874 -1.141941
H -5.373591 2.982432 0.558964
H -6.407892 2.787938 -2.297837
H -7.880600 1.901306 -2.845632
H -6.249056 1.159609 -3.065594
H 2.237056 3.566830 -1.304495
H 2.992624 3.488877 -2.942679
H 4.003176 3.195629 -1.465997
H 5.178283 1.395660 2.953504
H 6.159074 1.372666 1.430544
H 6.628868 0.326121 2.835888
H 6.608147 1.258878 -1.982565
H 4.985161 0.771537 -2.624501
H 5.932314 -0.370631 -1.582440


