%chk=000159298.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159298

0 1
 S  -0.6869000      -1.292500      5.2000000E-03
 O    2.751700       1.919700      3.3000000E-02
 O   -4.288600      0.1234000     -9.7000003E-03
 O   -3.519700      -1.937300      2.4999999E-03
 N    1.763700     -0.2696000      8.8999998E-03
 N    4.023800     -1.7400000E-02 -6.6000000E-03
 N  -0.1639000       1.239100     -5.2000000E-03
 N   -3.320900     -0.6892000     -2.9000000E-03
 C    2.329100      -1.607600      0.1089000    
 C    3.817300      -1.431300     -0.1191000    
 C    2.810400      0.6975000      9.2000002E-03
 C   0.3910000      4.4900000E-02  2.0000001E-03
 C   -1.537700       1.096200     -8.0000004E-03
 C   -2.008800     -0.1999000     -2.2000000E-03
 C   -2.360400       2.324000     -1.6100001E-02
 H    1.903300      -2.283500     -0.6390000    
 H    2.133200      -1.994500       1.115300    
 H    4.428400      -1.961100      0.6161000    
 H    4.114600      -1.736700      -1.126900    
 H    4.935400      0.4288000     -1.9700000E-02
 H   -1.727600       3.217800     -1.9200001E-02
 H   -2.992300       2.366200     -0.9088000    
 H   -2.996300       2.375300      0.8732000    


%chk=000159298-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159298

0 1
S -0.721030 -1.472199 0.146318
O 2.705893 1.973071 0.297136
O -4.334736 0.232646 0.032382
O -3.608784 -1.945440 0.182277
N 1.789586 -0.260636 0.021428
N 4.026991 0.015754 0.101436
N -0.152376 1.170889 -0.066773
N -3.392814 -0.662944 0.093164
C 2.348872 -1.633989 0.045829
C 3.869735 -1.411645 -0.204886
C 2.842172 0.743762 0.152964
C 0.437025 -0.020893 0.019150
C -1.540455 1.087373 -0.039850
C -2.036234 -0.223614 0.062062
C -2.346344 2.351562 -0.126742
H 1.888832 -2.260188 -0.737655
H 2.161958 -2.102893 1.030715
H 4.482563 -2.045001 0.458285
H 4.139963 -1.634354 -1.255037
H 4.919812 0.503915 0.121871
H -1.659113 3.207607 -0.197900
H -3.021546 2.333793 -0.999993
H -3.001169 2.465724 0.754717


