%chk=000257763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257763

0 1
S 4.197676 0.507069 0.147557
O 4.327676 1.927254 -0.089271
O 4.738808 -0.119272 1.333424
O -2.098959 1.967728 -0.776268
N -1.525863 -1.064300 -0.389381
N 4.944411 -0.270169 -1.187976
N -1.890807 -2.385751 -0.498837
N -3.749940 -1.217991 -0.516985
N -3.192125 -2.443311 -0.576743
N -4.032860 1.572009 0.370674
N -4.390496 2.936238 0.496075
C -0.139611 -0.661777 -0.260102
C 2.527460 0.057993 -0.010283
C 0.317824 0.493165 -0.906131
C 0.718659 -1.467295 0.509150
C 1.663005 0.850586 -0.768172
C 2.058749 -1.094509 0.628357
C -2.726801 -0.315085 -0.400198
C -2.895351 1.166012 -0.314537
H -0.360164 1.123739 -1.499106
H 0.350652 -2.373215 0.998054
H 2.028062 1.764824 -1.254660
H 2.738177 -1.706309 1.236387
H 5.322646 0.307393 -1.936165
H 5.583695 -1.041207 -1.005796
H -4.783991 0.930942 0.662339
H -3.678236 3.428440 1.056661
H -4.392396 3.397501 -0.426765


%chk=000257763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257763

0 1
S 4.470649 0.269279 0.031672
O 4.663278 1.884022 0.105485
O 5.142859 -0.773671 1.085976
O -2.140455 2.204784 -0.609235
N -1.513770 -0.889698 -0.031133
N 5.021090 -0.252414 -1.643125
N -1.869647 -2.266592 0.122583
N -3.741840 -1.035152 -0.035238
N -3.206077 -2.314823 0.118104
N -4.297399 1.574218 -0.016371
N -4.824425 2.858246 -0.279261
C -0.103371 -0.576563 -0.023362
C 2.618736 -0.079321 -0.005698
C 0.369951 0.690219 -0.438901
C 0.789161 -1.591796 0.412140
C 1.758050 0.942737 -0.427187
C 2.173475 -1.340179 0.420975
C -2.689714 -0.164924 -0.124821
C -2.970438 1.298746 -0.262232
H -0.335823 1.470328 -0.745046
H 0.397547 -2.558316 0.734107
H 2.153396 1.920313 -0.719503
H 2.884925 -2.092460 0.774840
H 5.403213 0.575138 -2.130356
H 5.707742 -1.017065 -1.533158
H -4.958887 0.794797 0.087986
H -5.096968 3.342103 0.586485
H -4.145355 3.398749 -0.834422


