%chk=000228945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228945

0 1
S -0.027668 2.165293 0.100936
O 2.686876 1.402514 0.297361
O -2.732291 1.373301 -0.119265
N 1.132386 -0.274768 0.150308
N -1.155588 -0.287040 -0.026113
C 0.769812 -1.725587 0.098597
C -0.773898 -1.733885 -0.020548
C -0.017069 0.548260 0.075232
C 2.480483 0.218240 0.262121
C -2.510117 0.191354 -0.122097
C 3.536159 -0.846259 0.326264
C -3.551699 -0.884421 -0.220025
H 1.112557 -2.243513 1.018015
H 1.250685 -2.214306 -0.773648
H -1.109993 -2.226768 -0.956003
H -1.248086 -2.256360 0.835665
H 3.559320 -1.473714 -0.574127
H 3.424643 -1.499649 1.201281
H 4.530661 -0.372116 0.408640
H -4.551885 -0.420921 -0.293645
H -3.570094 -1.535945 0.663281
H -3.428593 -1.512711 -1.111631


%chk=000228945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228945

0 1
S -0.028434 2.322888 0.108169
O 2.867649 1.344007 -0.225570
O -2.912279 1.297317 0.395370
N 1.125372 -0.215963 0.110691
N -1.149272 -0.229121 0.015518
C 0.723920 -1.636996 0.293577
C -0.729378 -1.638425 -0.211814
C -0.017619 0.647294 0.078070
C 2.495993 0.178305 0.044681
C -2.525036 0.144979 0.091771
C 3.499284 -0.945860 0.313186
C -3.513436 -0.983919 -0.210285
H 0.780539 -1.919790 1.362199
H 1.361730 -2.316601 -0.290715
H -0.782466 -1.888282 -1.288784
H -1.358319 -2.344215 0.350604
H 3.572100 -1.631371 -0.552359
H 3.245937 -1.544505 1.206045
H 4.483113 -0.476832 0.459924
H -4.503768 -0.523911 -0.340899
H -3.575323 -1.697388 0.633221
H -3.253705 -1.550611 -1.122003


