%chk=000222871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222871

0 1
S 1.816609 -0.667315 -0.165256
O 1.788524 -2.103332 -0.376128
O 2.622841 0.174204 -1.030819
N 2.472267 -0.434380 1.413315
C 0.202482 -0.080707 -0.052544
C -0.089764 1.282075 0.088130
C -0.834682 -1.025085 -0.115454
C -2.170053 -0.624935 -0.038174
C -1.440125 1.684395 0.167774
C -2.463486 0.746547 0.105725
C 0.984864 2.310831 0.161326
C -3.278845 -1.622724 -0.107839
H -0.589975 -2.089166 -0.232133
H -1.679603 2.740975 0.278198
H -3.503090 1.071005 0.167452
H 1.524893 2.259640 1.120186
H 1.744180 2.178902 -0.637420
H 0.607868 3.336594 0.061218
H -2.915321 -2.654577 -0.209519
H -3.904301 -1.591939 0.795762
H -3.935777 -1.430943 -0.968722
H 2.539383 -1.245307 2.024278
H 3.331410 0.105541 1.490743


%chk=000222871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222871

0 1
S 1.902105 -0.718690 -0.156825
O 1.790056 -2.337434 -0.319043
O 2.802740 0.155732 -1.192020
N 2.601631 -0.301533 1.507650
C 0.132271 -0.045843 -0.022320
C -0.099974 1.342242 0.102511
C -0.867597 -1.029760 -0.099022
C -2.226825 -0.637494 -0.045763
C -1.472932 1.706395 0.154615
C -2.505605 0.747976 0.083170
C 0.995650 2.384073 0.189514
C -3.343746 -1.661785 -0.129703
H -0.579402 -2.081092 -0.209173
H -1.724160 2.768538 0.254187
H -3.549613 1.081642 0.125529
H 1.656332 2.177992 1.051492
H 1.633616 2.368613 -0.711556
H 0.563664 3.391424 0.306026
H -2.947414 -2.687176 -0.215282
H -3.991829 -1.622724 0.765638
H -3.989688 -1.475868 -1.007942
H 2.443572 -1.101067 2.145044
H 3.607448 -0.103860 1.363374


