%chk=000210361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210361

0 1
S -7.150094 0.043749 1.298124
S -7.842341 0.170181 -0.634241
O 7.898028 1.142999 -0.728942
O -6.906245 -1.063040 -1.284056
O -9.186152 -0.297389 -0.698755
O -7.392749 1.380552 -1.229879
N -3.142525 0.259200 0.639247
C 0.418035 -1.118024 0.242004
C 1.781304 -0.431607 0.090424
C -0.715593 -0.088169 0.320595
C 2.923636 -1.457833 0.020711
C -2.080395 -0.780608 0.464019
C 4.251942 -0.769855 -0.134389
C -4.512682 -0.342746 0.651773
C 4.750505 -0.477746 -1.419317
C 4.997822 -0.404227 0.992071
C -5.468786 0.732414 1.164229
C 5.973038 0.162325 -1.578307
C 6.232724 0.241500 0.860649
C 6.706108 0.516865 -0.426085
C 8.741063 1.556701 0.371847
H 0.415194 -1.751653 1.150421
H 0.246803 -1.806594 -0.608021
H 1.955762 0.261959 0.936308
H 1.792643 0.199955 -0.819325
H -0.703936 0.558206 -0.577935
H -0.554309 0.593202 1.181344
H 2.752358 -2.159745 -0.820354
H 2.920034 -2.091039 0.930865
H -2.264391 -1.449429 -0.404491
H -2.084533 -1.424247 1.372327
H -3.079661 0.949994 -0.118270
H -4.835318 -0.725015 -0.346169
H -4.515261 -1.220727 1.338050
H 4.170736 -0.755950 -2.299217
H 4.617182 -0.621541 1.989749
H -5.176397 1.069990 2.183710
H -5.461496 1.641710 0.527547
H 6.375358 0.395036 -2.561184
H 6.795914 0.515176 1.745452
H 9.591063 2.010197 -0.154544
H 9.059979 0.687866 0.954448
H 8.224182 2.295975 0.990174
H -7.354048 -1.704872 -1.860110


%chk=000210361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210361

0 1
S -7.170282 0.033251 1.524686
S -8.129704 0.506569 -0.718950
O 8.024315 1.354457 -0.766786
O -8.224803 -1.264053 -1.293435
O -9.631577 1.107032 -0.761483
O -6.967277 1.249651 -1.579497
N -3.171889 -0.041852 0.487489
C 0.506039 -1.233676 0.307310
C 1.856212 -0.507744 0.118305
C -0.698111 -0.265775 0.309882
C 3.069499 -1.478596 0.124453
C -2.045090 -0.992345 0.491231
C 4.397296 -0.763306 -0.076307
C -4.518603 -0.567454 0.739036
C 4.835818 -0.392941 -1.377635
C 5.216594 -0.406098 1.020323
C -5.453781 0.611426 1.067206
C 6.039235 0.307159 -1.575534
C 6.431225 0.298909 0.845958
C 6.842102 0.657907 -0.460756
C 8.888953 1.736976 0.350441
H 0.525729 -1.800788 1.261503
H 0.377835 -1.985606 -0.499455
H 1.992587 0.245685 0.919985
H 1.847251 0.054471 -0.837442
H -0.711652 0.300490 -0.645646
H -0.583090 0.480886 1.119394
H 2.919317 -2.234137 -0.673086
H 3.077430 -2.029711 1.085592
H -2.154212 -1.772329 -0.302573
H -2.054399 -1.527871 1.461686
H -3.130090 0.645092 -0.276330
H -4.949008 -1.145719 -0.111600
H -4.463849 -1.257198 1.602884
H 4.226491 -0.663737 -2.249163
H 4.906027 -0.684895 2.035234
H -5.073553 1.220463 1.908269
H -5.562229 1.275848 0.183860
H 6.381332 0.588768 -2.576266
H 7.037931 0.552593 1.720639
H 9.739209 2.261365 -0.110018
H 9.254131 0.848298 0.902017
H 8.366691 2.417800 1.051172
H -8.901551 -1.295568 -2.034095


