%chk=000216882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216882

0 1
S -4.548511 0.938987 1.984250
O -0.126280 0.375811 1.827522
O 1.058795 -0.415324 -2.130483
N 4.126516 0.108558 -0.368047
N 1.412240 -0.149132 0.125653
N -1.489743 0.576207 2.003167
C 3.334587 -0.658960 -1.373030
C 4.369637 1.513956 -0.843738
C 5.404338 -0.593383 -0.013734
C 1.841618 -0.385201 -1.204802
C 4.709554 2.408746 0.346935
C 5.112063 -1.828901 0.836320
C 0.081474 0.092446 0.455605
C -1.120461 0.116771 -0.211264
C -2.101886 0.428838 0.810064
C -3.521198 0.569268 0.624364
C -4.268158 0.455784 -0.518186
C -5.674741 0.668477 -0.292309
C -5.980950 0.939379 1.009300
H 3.606728 -0.445915 -2.433073
H 3.490712 -1.757388 -1.236388
H 5.169996 1.573696 -1.612620
H 3.438333 1.889235 -1.326417
H 6.003700 -0.871674 -0.907370
H 6.027059 0.118114 0.577460
H 3.952229 2.323796 1.138374
H 5.674395 2.150559 0.798737
H 4.754225 3.461266 0.043954
H 4.489747 -1.575759 1.705410
H 4.580942 -2.606294 0.275042
H 6.041048 -2.271454 1.214254
H 2.115863 -0.053926 0.876355
H -1.300307 -0.054661 -1.256578
H -3.868369 0.231174 -1.498329
H -6.393513 0.611799 -1.098839
H -6.949583 1.134605 1.437142


%chk=000216882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216882

0 1
S -4.435373 1.148565 2.071572
O 0.088603 0.768504 1.603544
O 1.032173 -0.648293 -2.352935
N 4.093661 0.109504 -0.423855
N 1.485234 0.068627 -0.153704
N -1.345803 0.945029 1.904464
C 3.371520 -0.551829 -1.542390
C 4.443298 1.528737 -0.756886
C 5.247542 -0.683517 0.098487
C 1.841509 -0.380411 -1.422083
C 4.687813 2.405466 0.484114
C 4.809307 -1.920900 0.902357
C 0.195795 0.290228 0.290515
C -1.058767 0.146586 -0.278054
C -1.978124 0.562097 0.754720
C -3.429110 0.600172 0.669049
C -4.234421 0.252502 -0.413834
C -5.642908 0.409173 -0.164327
C -5.922731 0.877570 1.111035
H 3.674277 -0.179688 -2.543622
H 3.573130 -1.638554 -1.534803
H 5.329092 1.565230 -1.434869
H 3.591318 1.948597 -1.323957
H 5.928871 -0.986127 -0.732240
H 5.830433 -0.019887 0.760288
H 3.804530 2.399208 1.147409
H 5.560854 2.071339 1.072401
H 4.878506 3.449023 0.174325
H 4.187071 -1.623166 1.764465
H 4.227052 -2.634665 0.291485
H 5.696557 -2.459570 1.282402
H 2.326052 0.240005 0.441308
H -1.271462 -0.203310 -1.282199
H -3.828576 -0.105717 -1.363196
H -6.415431 0.182885 -0.902749
H -6.889393 1.086086 1.566465


