%chk=000231786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231786

0 1
S -2.359478 0.508068 1.596237
O -1.798779 -0.098013 2.787739
O -3.749767 0.926577 1.619147
O -4.640270 -0.862157 -2.418339
O -3.410119 0.920120 -1.862662
N -2.296886 -0.647061 0.310992
C -1.142215 -1.501071 0.166413
C 1.049620 -1.926153 -0.822323
C -0.121097 -1.137703 -0.741495
C -1.020107 -2.671128 0.955191
C 1.168438 -3.090517 -0.040423
C 2.170866 -1.490951 -1.731123
C 0.129997 -3.455019 0.827143
C -3.538328 -1.061927 -0.348059
C -0.236712 0.078630 -1.599552
C 2.943065 -0.313404 -1.188588
C -2.063819 -3.057802 1.948285
C 2.387729 -3.956257 -0.100237
C -1.328196 1.768111 1.045314
C 3.182003 -0.178280 0.185168
C 3.448306 0.649279 -2.078502
C -3.791484 -0.186731 -1.567012
C 3.913362 0.914107 0.674950
C -1.792865 2.686769 0.097647
C -0.012636 1.846828 1.518431
C 4.181156 1.732506 -1.589323
C 4.415330 1.872534 -0.219045
C -0.941963 3.693613 -0.369533
C 0.840735 2.844427 1.041663
C 4.165829 1.042959 2.142856
C 0.373382 3.768827 0.099732
H 1.756082 -1.255104 -2.737002
H 2.886212 -2.320754 -1.920141
H 0.227118 -4.358172 1.427651
H -4.426838 -0.948947 0.332529
H -3.508524 -2.133632 -0.664793
H -1.233947 0.545442 -1.577817
H 0.477575 0.853961 -1.275145
H -0.018640 -0.144217 -2.652900
H -1.876786 -4.037108 2.405200
H -2.084190 -2.317924 2.777617
H -3.070885 -3.087514 1.517600
H 3.301106 -3.378763 0.106381
H 2.358873 -4.776380 0.629459
H 2.501730 -4.416445 -1.092145
H 2.789543 -0.922443 0.877177
H 3.271312 0.555022 -3.146421
H -2.816769 2.611091 -0.293702
H 0.349098 1.125588 2.260148
H 4.573761 2.475572 -2.282443
H 4.989404 2.717778 0.149908
H -1.304135 4.410872 -1.104598
H 1.871967 2.892905 1.391567
H 3.297677 0.733034 2.740822
H 5.008337 0.403403 2.447475
H 4.417497 2.068130 2.442019
H 1.040278 4.547537 -0.272544
H -4.881853 -0.336914 -3.225292


%chk=000231786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231786

0 1
S -2.071321 0.537620 1.642558
O -1.017556 -0.072087 2.732222
O -3.633400 0.816082 2.058360
O -5.282498 -1.126497 -1.842411
O -3.912204 0.751092 -1.852617
N -2.181555 -0.624883 0.005193
C -1.089164 -1.545777 -0.054410
C 1.166525 -2.020838 -0.952492
C 0.016401 -1.181443 -0.895704
C -1.052002 -2.752786 0.720080
C 1.197526 -3.233997 -0.204152
C 2.370893 -1.587866 -1.781327
C 0.087579 -3.574930 0.605564
C -3.571218 -1.054694 -0.165348
C -0.047076 0.080000 -1.735081
C 3.196664 -0.453257 -1.154567
C -2.164205 -3.158339 1.671087
C 2.400172 -4.163414 -0.230999
C -1.310392 2.123806 0.965762
C 3.296871 -0.302125 0.250256
C 3.899646 0.454598 -1.987020
C -4.213749 -0.355368 -1.362951
C 4.081144 0.723857 0.837393
C -2.099314 2.949618 0.148949
C 0.019576 2.398549 1.320503
C 4.682848 1.483505 -1.420324
C 4.772816 1.620241 -0.016290
C -1.504078 4.136827 -0.336288
C 0.595942 3.587854 0.817437
C 4.189268 0.842072 2.348977
C -0.164277 4.452000 -0.004985
H 2.045131 -1.262279 -2.787880
H 3.040195 -2.452121 -1.948509
H 0.130083 -4.498752 1.195460
H -4.183395 -0.757088 0.720628
H -3.672285 -2.145405 -0.288445
H -1.029617 0.563083 -1.634373
H 0.736859 0.801199 -1.438819
H 0.122265 -0.151214 -2.804542
H -1.771176 -3.828894 2.453523
H -2.615314 -2.290377 2.180585
H -2.975304 -3.704509 1.149934
H 3.333870 -3.638611 0.044800
H 2.263889 -4.999593 0.475158
H 2.558895 -4.599844 -1.235987
H 2.737339 -0.983711 0.903126
H 3.825341 0.360616 -3.077809
H -3.125021 2.675672 -0.113284
H 0.574086 1.710828 1.966930
H 5.216607 2.184853 -2.072140
H 5.380356 2.423837 0.418125
H -2.085729 4.806304 -0.978267
H 1.635232 3.828785 1.063869
H 3.242694 0.564964 2.847033
H 4.972204 0.166256 2.745001
H 4.455888 1.867765 2.659604
H 0.288553 5.371666 -0.391272
H -5.741406 -0.637651 -2.578527


