%chk=000235511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235511

0 1
S 1.812666 -0.669634 -0.123794
O 1.794166 -2.108203 -0.315016
O 2.616614 0.161808 -1.000272
N 2.450020 -0.404356 1.454466
N -3.212829 -1.625635 0.048482
C 0.187271 -0.090542 -0.034226
C -0.114524 1.271398 0.067763
C -0.831183 -1.050888 -0.075502
C -1.470969 1.663456 0.128836
C -2.176031 -0.653170 -0.016506
C -2.490001 0.723947 0.086748
C 0.949311 2.313346 0.119149
H -0.576070 -2.114755 -0.151285
H -1.717696 2.722045 0.212011
H -3.530450 1.041933 0.143944
H 1.480681 2.295942 1.083820
H 1.715453 2.167088 -0.669606
H 0.561438 3.331138 -0.013559
H 2.505786 -1.199049 2.087415
H 3.304957 0.141538 1.533992
H -4.113924 -1.315095 -0.289683
H -2.975785 -2.531810 -0.335777


%chk=000235511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235511

0 1
S 1.888978 -0.721836 -0.111031
O 1.788175 -2.346003 -0.240933
O 2.804204 0.131579 -1.150772
N 2.564730 -0.273362 1.553387
N -3.243150 -1.626948 -0.144307
C 0.114509 -0.054126 -0.017219
C -0.125247 1.334897 0.078575
C -0.863829 -1.054404 -0.093476
C -1.504663 1.678699 0.100954
C -2.233493 -0.669672 -0.070938
C -2.533158 0.719998 0.029929
C 0.958765 2.390390 0.162710
H -0.557889 -2.103265 -0.181096
H -1.770619 2.739434 0.177487
H -3.579710 1.047185 0.049236
H 1.615887 2.207923 1.032746
H 1.603275 2.378962 -0.733964
H 0.510976 3.392990 0.264781
H 2.401340 -1.062583 2.202204
H 3.571433 -0.073499 1.418535
H -4.220859 -1.352322 -0.147203
H -3.020755 -2.613537 -0.238204


