%chk=000227734.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227734

0 1
S 0.458743 0.217774 0.670885
S -1.307709 -1.623972 2.308341
O -2.651331 -0.174593 0.863899
O 1.824248 2.180136 0.591906
O 0.613593 -2.399573 0.838655
O -2.539829 1.607084 -0.548889
O 1.432669 3.884904 2.035785
N 2.061529 -3.638220 -0.351580
C -0.879643 1.332291 1.222038
C -0.431356 2.755676 0.939261
C -2.104174 0.982840 0.392228
C 1.005114 3.033435 1.296092
C 1.738431 -2.246451 -0.178215
C -0.075394 -1.379905 1.270357
C -3.877577 -0.657180 0.204468
C 3.274409 2.306736 0.783287
C 1.737471 -4.211809 -1.679502
C 3.368637 -4.068021 0.199605
C -5.064068 0.163809 0.661193
C 3.678675 1.760372 2.134934
H -1.088194 1.167917 2.314231
H -0.593652 3.008695 -0.142752
H -1.081951 3.474148 1.494670
H 1.285401 -1.745324 -1.054464
H 2.505265 -1.632253 0.328688
H -3.724586 -0.621183 -0.887162
H -3.900902 -1.701700 0.567542
H 3.645224 1.704045 -0.064715
H 3.542074 3.370906 0.657365
H 2.393534 -3.865031 -2.492453
H 0.689787 -3.976377 -1.938369
H 1.806425 -5.312743 -1.622969
H 3.452259 -3.738681 1.250583
H 4.239045 -3.698058 -0.363267
H 3.408294 -5.171848 0.213874
H -6.009254 -0.274153 0.319306
H -5.106011 0.233181 1.756244
H -5.014631 1.190450 0.269464
H 4.768309 1.704547 2.238115
H 3.304190 2.401063 2.949758
H 3.269136 0.756867 2.308660


%chk=000227734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227734

0 1
S 0.288180 -0.188238 -0.105405
S -0.678108 -1.493234 2.609042
O -2.708695 -0.028632 -0.052933
O 2.066880 3.540129 1.062735
O 0.808909 -2.701440 0.752719
O -2.831832 2.295405 0.028902
O 1.100113 2.218035 2.727408
N 2.109766 -4.119239 -0.814357
C -0.749883 1.169321 0.701999
C -0.040960 2.525855 0.556869
C -2.184504 1.228024 0.175104
C 1.073489 2.703617 1.574051
C 1.605034 -2.835783 -0.712272
C 0.152247 -1.588777 1.143853
C -4.165282 -0.097588 -0.397984
C 3.209424 3.851607 1.979569
C 1.172801 -5.225194 -1.093857
C 3.291631 -4.480135 -0.006930
C -5.011787 -0.087772 0.877437
C 4.282486 2.762645 1.893106
H -0.798985 0.858574 1.772983
H 0.353439 2.687778 -0.459624
H -0.796005 3.319161 0.727197
H 0.811810 -2.605304 -1.439165
H 2.377197 -2.055333 -0.638487
H -4.410907 0.753385 -1.057432
H -4.251328 -1.048126 -0.947470
H 3.574058 4.825529 1.615983
H 2.818306 3.947993 3.007753
H 1.719307 -6.062002 -1.563694
H 0.391060 -4.883117 -1.792792
H 0.679797 -5.592714 -0.171117
H 3.975691 -3.617332 0.057732
H 3.828027 -5.315817 -0.490317
H 3.012426 -4.781981 1.022853
H -6.075702 -0.244436 0.619639
H -4.695531 -0.893958 1.560938
H -4.922516 0.879321 1.399804
H 5.152286 3.046279 2.514560
H 3.891891 1.801087 2.265695
H 4.627968 2.632206 0.853001


