%chk=000211074.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211074

0 1
S 2.285997 0.873331 1.153679
S 1.969880 0.501189 -1.755676
O -1.567943 0.071089 -0.186312
O -3.633072 -0.590943 0.610454
N -3.136448 1.661587 0.200485
C 3.688503 1.481138 0.127645
C 1.094234 0.455659 -0.158084
C 3.681337 0.679899 -1.158149
C 0.542331 -0.897368 0.092840
C 3.556135 2.976810 -0.076228
C -0.859401 -1.095879 0.114191
C 1.349950 -2.022273 0.309095
C -1.449016 -2.336063 0.352289
C 0.778823 -3.277284 0.547666
C -0.610129 -3.432498 0.572412
C -2.893012 0.283630 0.225894
C -4.561172 2.069268 0.105805
C -2.170154 2.561398 -0.475105
H 4.607328 1.254817 0.726660
H 0.284366 1.238817 -0.187941
H 4.255670 1.179473 -1.964621
H 4.129490 -0.323577 -1.021018
H 3.459362 3.512510 0.878261
H 4.432268 3.391382 -0.591952
H 2.675955 3.241038 -0.679962
H 2.436418 -1.918729 0.296827
H -2.537047 -2.442624 0.375147
H 1.423723 -4.137534 0.716956
H -1.047539 -4.412586 0.762666
H -5.204055 1.326186 0.617926
H -4.911517 2.171122 -0.933600
H -4.689392 3.035353 0.623716
H -2.290201 2.580188 -1.570357
H -1.129898 2.233393 -0.252242
H -2.292675 3.584379 -0.082068


%chk=000211074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211074

0 1
S 2.800029 0.901486 1.512237
S 1.375642 1.456894 -1.150022
O -1.504590 0.253489 0.063093
O -3.581792 -0.522101 0.917086
N -3.398422 1.511837 -0.243940
C 3.916185 1.275676 -0.009648
C 1.147546 0.697373 0.591013
C 3.150241 0.829568 -1.266915
C 0.628435 -0.725263 0.528171
C 4.323409 2.757007 -0.021436
C -0.761220 -0.937170 0.292537
C 1.451718 -1.866305 0.676347
C -1.314797 -2.231462 0.205211
C 0.917802 -3.170466 0.585403
C -0.463667 -3.349171 0.352491
C -2.912587 0.340381 0.294600
C -4.819483 1.837974 -0.040554
C -2.590709 2.492593 -0.988543
H 4.799754 0.625108 0.129116
H 0.422449 1.364156 1.080724
H 3.583291 1.273845 -2.179678
H 3.124045 -0.268449 -1.363671
H 4.779380 3.050311 0.939573
H 5.062550 2.946375 -0.824931
H 3.438804 3.394565 -0.193384
H 2.512446 -1.711651 0.900631
H -2.386984 -2.361215 0.050111
H 1.573515 -4.038931 0.708944
H -0.888474 -4.356981 0.291084
H -5.288696 1.040829 0.554518
H -5.339671 1.918962 -1.014014
H -4.920831 2.800960 0.495427
H -3.101513 2.747246 -1.936424
H -1.601475 2.076070 -1.217158
H -2.463230 3.422754 -0.400701


