%chk=000298322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298322

0 1
S -0.537951 2.286519 -0.320406
O -1.592692 -1.385134 0.079275
O -0.368276 -0.495748 1.722474
O 1.429790 1.215357 -1.916752
O -5.073312 0.107769 0.932256
N -3.207188 0.660883 -0.248454
C -2.377140 0.716380 0.962466
C -1.666370 2.065113 1.081906
C 1.066552 1.787104 0.353156
C -1.331669 -0.404759 0.991183
C 1.736023 1.021030 -0.761756
C 2.805761 0.055675 -0.366498
C -4.559330 0.280675 -0.159048
C 2.700857 -0.725643 0.792164
C 3.924662 -0.077455 -1.203570
C -5.268365 0.161555 -1.473430
C 3.719142 -1.624657 1.119328
C 4.944361 -0.971390 -0.868405
C 4.842240 -1.743920 0.293557
H -3.050069 0.557021 1.869375
H -1.148152 2.158218 2.055190
H -2.406383 2.894290 1.042834
H -2.717075 0.722265 -1.140601
H 0.970262 1.192710 1.287759
H 1.667937 2.679301 0.621639
H 1.817891 -0.644606 1.436843
H 3.987482 0.516553 -2.118174
H -6.337892 -0.051717 -1.306429
H -5.212368 1.081786 -2.071210
H -4.869241 -0.660019 -2.085562
H 3.636625 -2.232555 2.019317
H 5.815330 -1.069742 -1.514618
H 5.637329 -2.442155 0.554044
H -0.916268 -2.120103 0.099747


%chk=000298322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298322

0 1
S -0.585336 1.695614 -0.528797
O -2.896131 -1.862716 0.587499
O -1.075063 -1.052668 1.766241
O 1.778423 0.904258 -2.041652
O -5.565945 0.906592 0.873397
N -3.577638 0.624928 -0.291144
C -2.775296 0.546214 0.926040
C -1.717115 1.666597 1.003808
C 0.949265 0.908874 0.245754
C -2.136627 -0.834542 1.134932
C 1.997296 0.627205 -0.826933
C 3.300808 0.022475 -0.387748
C -4.955307 0.791501 -0.233783
C 3.546245 -0.381110 0.953186
C 4.322207 -0.146858 -1.362598
C -5.671977 0.821973 -1.576226
C 4.791037 -0.941884 1.309888
C 5.564781 -0.704252 -1.004073
C 5.802555 -1.102871 0.334115
H -3.509627 0.679586 1.754173
H -1.089223 1.552348 1.901193
H -2.221939 2.644668 1.030120
H -3.091535 0.532380 -1.186214
H 0.643313 -0.016087 0.765737
H 1.361423 1.605686 0.998789
H 2.771045 -0.270137 1.718985
H 4.111836 0.169049 -2.389815
H -6.324643 1.709890 -1.617270
H -4.984858 0.837388 -2.439247
H -6.322031 -0.067050 -1.655643
H 4.973235 -1.254233 2.343799
H 6.347713 -0.828814 -1.759960
H 6.769059 -1.536714 0.613969
H -2.467448 -2.736688 0.799078


