%chk=000255370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255370

0 1
S 3.165004 0.262991 -0.276426
O -5.355807 -3.216444 0.720214
O -7.877069 2.809120 0.596579
N -5.050236 0.445439 0.164047
N -1.687788 0.957480 -1.217310
N 0.457473 1.783989 -1.345632
N -1.170928 -1.217769 -0.067695
N 1.226032 -1.482828 0.348735
C -3.831441 1.299996 0.006344
C -3.155384 0.890004 -1.323614
C -4.715196 -0.876697 0.778612
C -6.130422 1.154241 0.916297
C -0.860163 -0.002677 -0.631115
C -5.651088 -1.930664 0.160145
C -6.955372 1.963434 -0.102418
C 0.486791 0.527565 -0.726426
C -0.830698 2.028148 -1.622595
C 1.518065 -0.286240 -0.203999
C -0.093745 -1.895445 0.394045
C 4.113915 -1.088302 0.496458
C 5.528350 -0.618552 0.433585
C 6.070881 0.131593 1.489749
C 6.325161 -0.924885 -0.681682
C 7.397371 0.565993 1.429576
C 7.650856 -0.487232 -0.735218
C 8.189503 0.257440 0.319006
H -4.117700 2.372857 -0.034238
H -3.119710 1.206071 0.856888
H -3.497631 1.542581 -2.155851
H -3.446608 -0.155209 -1.604083
H -3.655568 -1.151988 0.561057
H -4.801992 -0.893760 1.885419
H -5.756443 1.829484 1.716216
H -6.787566 0.418549 1.428016
H -6.709683 -1.776302 0.436968
H -5.559602 -1.971016 -0.938960
H -6.338547 2.685434 -0.668943
H -7.497042 1.311970 -0.808666
H -1.217591 2.915785 -2.106324
H -0.272850 -2.879417 0.857961
H -4.452956 -3.500623 0.472918
H -8.573751 2.280088 1.030688
H 3.946121 -2.041749 -0.044763
H 3.760057 -1.271068 1.531534
H 5.457926 0.379225 2.355209
H 5.910270 -1.500338 -1.508032
H 7.814186 1.148055 2.250206
H 8.265253 -0.726140 -1.602066
H 9.222362 0.597314 0.274585


%chk=000255370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255370

0 1
S 3.289836 0.616711 -0.305076
O -6.450836 -3.263340 0.510659
O -7.689229 3.198645 0.403524
N -5.203376 0.323523 0.304166
N -1.706001 0.747744 -1.072418
N 0.321829 1.813397 -1.307289
N -0.949564 -1.320066 0.061838
N 1.479020 -1.341850 0.407719
C -3.844625 0.893672 0.238723
C -3.154974 0.484804 -1.090595
C -5.260157 -1.083037 0.770614
C -6.236303 1.218755 0.872984
C -0.749677 -0.099268 -0.509697
C -6.278797 -1.911514 -0.041760
C -6.764287 2.216523 -0.181182
C 0.504068 0.574174 -0.667520
C -1.005179 1.876537 -1.525982
C 1.643557 -0.114934 -0.171484
C 0.219141 -1.876325 0.494528
C 4.336247 -0.783955 0.499468
C 5.796745 -0.419902 0.401123
C 6.446160 0.257073 1.465791
C 6.546905 -0.751601 -0.757459
C 7.816127 0.590626 1.378060
C 7.916267 -0.418939 -0.847876
C 8.555250 0.253272 0.220493
H -3.905716 1.995707 0.297517
H -3.206432 0.557881 1.087858
H -3.613305 1.017678 -1.940801
H -3.291420 -0.598422 -1.251188
H -4.253884 -1.534734 0.660132
H -5.523433 -1.156968 1.850426
H -5.867181 1.792710 1.754051
H -7.078974 0.595472 1.230935
H -7.284423 -1.462275 0.019846
H -5.974724 -1.936182 -1.109046
H -5.939748 2.828764 -0.584019
H -7.226320 1.658716 -1.021918
H -1.511044 2.707116 -2.015067
H 0.148347 -2.860405 0.966388
H -5.598875 -3.760791 0.422922
H -8.510018 2.734447 0.706003
H 4.077571 -1.703742 -0.045859
H 3.981340 -0.877427 1.536494
H 5.875018 0.522203 2.363706
H 6.052799 -1.269560 -1.588256
H 8.305343 1.110884 2.209062
H 8.483905 -0.683265 -1.747052
H 9.618027 0.510970 0.151512


