%chk=000229194.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229194

0 1
S 1.827845 2.505924 -0.098902
O 2.198295 2.747664 -1.466829
O 2.056511 3.548950 0.886705
O -0.527318 -2.701602 0.414215
O 0.124841 -2.051128 -1.626816
O -3.304131 -1.791135 -0.142528
N 2.793494 1.204512 0.554626
N 2.622488 0.032633 -0.115741
N -3.652616 0.352684 0.625201
C 0.219355 1.926195 0.029665
C 2.911111 -2.267369 -0.679614
C 3.267643 -1.064264 0.166657
C 1.746425 -3.061792 -0.078618
C -0.223403 0.867097 -0.771861
C -0.643220 2.488840 0.981577
C -2.344773 0.878343 0.384507
C -1.501114 0.334171 -0.595101
C -1.926994 1.984068 1.161132
C 4.316710 -1.243645 1.219750
C 0.420941 -2.537214 -0.558697
C -4.070139 -0.963851 0.313456
C -5.515269 -1.235282 0.605444
H 3.798779 -2.920972 -0.792923
H 2.648581 -1.943963 -1.717023
H 1.820029 -4.134300 -0.362988
H 1.782300 -3.048161 1.033435
H 0.432334 0.424726 -1.538846
H -0.300351 3.330594 1.598201
H 3.570366 1.353251 1.208625
H -1.818383 -0.510337 -1.219294
H -2.583816 2.426482 1.904934
H 4.575265 -2.298669 1.378307
H 3.987820 -0.852829 2.193512
H 5.246877 -0.723819 0.947103
H -4.305670 0.975699 1.106187
H -6.193240 -0.560103 0.064080
H -5.775116 -2.262507 0.290508
H -5.751684 -1.166763 1.676494
H -1.446971 -2.372831 0.131658


%chk=000229194-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229194

0 1
S 1.948756 2.697461 -0.113168
O 2.371293 2.840900 -1.676999
O 2.168059 3.912926 0.946926
O -0.552861 -2.742305 0.406625
O 0.068444 -2.046192 -1.720965
O -3.065952 -1.891663 0.139584
N 2.789269 1.131670 0.753471
N 2.658713 0.053378 -0.117272
N -3.606698 0.345300 0.578785
C 0.188392 2.065935 0.012168
C 2.888109 -2.264669 -0.764252
C 3.180976 -1.115285 0.184463
C 1.718468 -3.170074 -0.274683
C -0.227852 1.080262 -0.896730
C -0.610193 2.544153 1.063251
C -2.321404 0.942187 0.355208
C -1.504679 0.511393 -0.718337
C -1.890677 1.977380 1.225350
C 4.005409 -1.358230 1.435244
C 0.349749 -2.584952 -0.618556
C -3.917473 -1.001365 0.449214
C -5.371291 -1.370175 0.704555
H 3.799210 -2.883773 -0.867790
H 2.624928 -1.865931 -1.758669
H 1.786032 -4.147280 -0.792361
H 1.767304 -3.369362 0.808793
H 0.424101 0.735585 -1.702121
H -0.229936 3.316931 1.738855
H 3.762177 1.438554 0.979581
H -1.826447 -0.284760 -1.392002
H -2.532091 2.308088 2.050275
H 4.053997 -2.432122 1.678897
H 3.574741 -0.812032 2.296070
H 5.047692 -1.001928 1.303852
H -4.343300 0.957276 0.936653
H -5.804188 -1.781469 -0.223892
H -5.411388 -2.169125 1.463676
H -5.992386 -0.521523 1.037465
H -1.483196 -2.375868 0.199037


