%chk=000185933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185933

0 1
S -0.639757 -1.339020 -1.099687
O 0.434080 1.283332 -1.577518
N -1.658531 -1.318006 0.296366
N 1.197922 0.601966 -0.877050
C -2.751792 -0.295058 0.304973
C -3.510472 -0.500650 1.635523
C -2.133554 1.106158 0.258698
C -3.721343 -0.494474 -0.876938
C 0.875752 -0.696334 -0.496671
C 1.735629 -1.453085 0.297620
C 2.421182 1.130145 -0.462350
C 2.954873 -0.917967 0.718019
C 3.289119 0.383867 0.327891
H -2.828388 -0.445393 2.492649
H -4.267062 0.279137 1.771763
H -4.024685 -1.464531 1.678684
H -1.582532 1.287029 -0.681453
H -1.419240 1.258256 1.075126
H -2.898910 1.883382 0.331816
H -4.135196 -1.505354 -0.909927
H -4.563763 0.202195 -0.816507
H -3.226099 -0.305288 -1.838212
H -1.972488 -2.257783 0.545380
H 1.443080 -2.466805 0.585888
H 2.650388 2.149790 -0.784117
H 3.631777 -1.500567 1.337868
H 4.236313 0.828458 0.641166


%chk=000185933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185933

0 1
S -0.719561 -0.545961 -1.526312
O 1.422100 0.524069 -2.865659
N -1.591812 -1.197771 -0.042418
N 1.805904 0.320351 -1.593396
C -2.805196 -0.423521 0.418941
C -3.350793 -1.236066 1.621093
C -2.354325 0.978744 0.882028
C -3.891286 -0.305500 -0.685340
C 0.878859 -0.220053 -0.705107
C 1.214330 -0.466740 0.631148
C 3.084588 0.629597 -1.147194
C 2.513228 -0.157013 1.094273
C 3.448925 0.398266 0.184989
H -2.584179 -1.322428 2.410612
H -4.239349 -0.735146 2.045556
H -3.653221 -2.256207 1.314714
H -1.930041 1.554838 0.040522
H -1.586058 0.898739 1.670811
H -3.216140 1.541066 1.283905
H -4.232388 -1.305128 -1.015452
H -4.771635 0.250153 -0.313058
H -3.493430 0.234912 -1.563826
H -1.840243 -2.180287 -0.247910
H 0.435059 -0.903398 1.262947
H 3.739610 1.049111 -1.911875
H 2.788377 -0.344459 2.135785
H 4.464980 0.653230 0.499224


