%chk=000217678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217678

0 1
S 0.774731 1.233465 0.095657
O 4.418625 0.003490 -0.008551
O 3.508198 1.966222 0.144319
N 0.356953 -1.321058 -0.108732
N 3.454831 0.749373 0.050556
N -3.701318 1.401603 -0.254235
C -0.297303 -0.161007 -0.022701
C 1.748301 -1.153377 -0.094867
C -1.738432 -0.006641 -0.006123
C 2.141574 0.178789 0.008745
C 2.638245 -2.321952 -0.187027
C -2.565362 -1.114444 0.273612
C -2.357290 1.238196 -0.273028
C -3.949594 -0.947608 0.292176
C -4.482691 0.324835 0.027068
H 3.311115 -2.246296 -1.062545
H 3.312198 -2.384427 0.688428
H 2.090152 -3.275126 -0.262714
H -2.115321 -2.093102 0.471410
H -1.775781 2.138316 -0.517635
H -4.607760 -1.788335 0.506801
H -5.565470 0.506486 0.033186


%chk=000217678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217678

0 1
S 0.800746 1.390136 -0.106096
O 4.489649 -0.140327 -0.134464
O 3.679159 2.007921 -0.199750
N 0.365140 -1.254758 0.009658
N 3.517858 0.721129 -0.144964
N -3.767038 1.425475 0.011329
C -0.289385 -0.086808 -0.019431
C 1.750166 -1.118824 -0.029785
C -1.745832 0.032057 0.011131
C 2.172464 0.219591 -0.092439
C 2.613658 -2.345980 -0.002810
C -2.546422 -1.144904 0.069634
C -2.414421 1.289421 -0.015552
C -3.946974 -1.015201 0.097913
C -4.515178 0.281617 0.067252
H 3.258973 -2.399917 -0.896929
H 3.301424 -2.331154 0.860687
H 1.970185 -3.237149 0.047573
H -2.053124 -2.121022 0.091058
H -1.847971 2.228964 -0.060190
H -4.593333 -1.896747 0.142666
H -5.601140 0.423880 0.087309


