%chk=000293024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293024

0 1
S 2.698758 -1.099119 -1.253828
O -3.409221 1.623522 0.053874
O -1.448877 2.488429 0.351453
N 2.403895 -0.602190 1.441832
N 3.115843 0.376259 1.355216
N -2.196771 1.543359 0.158124
C 1.848595 -1.418228 0.334968
C 0.378151 -1.209349 0.132812
C 2.915164 0.699983 -1.161626
C 3.623719 1.047425 0.135866
C -0.209865 0.054325 0.272230
C -0.423081 -2.308568 -0.230727
C -1.583147 0.199528 0.030632
C -1.791673 -2.147348 -0.459957
C -2.386291 -0.889812 -0.331977
H 2.077611 -2.489695 0.604346
H 1.938439 1.214269 -1.255114
H 3.511374 1.003160 -2.046372
H 4.718467 0.825702 0.073951
H 3.556417 2.145376 0.339840
H 0.375740 0.929881 0.574404
H 0.025775 -3.298288 -0.339085
H -2.401337 -3.007903 -0.740710
H -3.457786 -0.748018 -0.507853


%chk=000293024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293024

0 1
S 2.878418 -1.305803 -1.241247
O -3.513299 1.630213 0.058900
O -1.497233 2.511704 0.658117
N 2.353956 -0.479887 1.523251
N 3.107161 0.541569 1.391472
N -2.245680 1.529743 0.279571
C 1.879531 -1.378911 0.398807
C 0.390770 -1.183621 0.162471
C 2.941228 0.587944 -1.231958
C 3.628061 1.057651 0.047524
C -0.230856 0.068928 0.366191
C -0.391091 -2.274759 -0.301974
C -1.605517 0.203807 0.077345
C -1.766303 -2.118299 -0.575734
C -2.393059 -0.867757 -0.390342
H 2.074833 -2.398272 0.771652
H 1.910450 0.970548 -1.322385
H 3.506787 0.883067 -2.129265
H 4.704899 0.800817 0.045340
H 3.557745 2.155129 0.164308
H 0.310011 0.930086 0.767442
H 0.086161 -3.248874 -0.459832
H -2.351671 -2.971017 -0.933569
H -3.455405 -0.711304 -0.593786


