%chk=000164661.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164661

0 1
 S   -1.835900     -0.7721000      -1.000000    
 O    1.478700       1.744200       1.801000    
 O    2.716200       3.185200      0.5627000    
 O   -4.155500       1.341700       1.003500    
 O   -5.389900      0.4284000     -0.6645000    
 N   0.3800000      -2.041700     -0.1983000    
 N   0.4431000       3.794300     -0.8830000    
 N   -4.631600      -2.141700     -4.4999998E-03
 C   0.8967000      1.4100000E-02 -0.8570000    
 C   0.7932000       1.397300      -1.370500    
 C    2.092900     -0.6325000     -0.4375000    
 C  -0.1390000     -0.8776000     -0.6982000    
 C    1.740900      -1.920700     -2.8999999E-02
 C   0.5440000       2.462900     -0.2795000    
 C    3.445400     -0.2442000     -0.3658000    
 C    2.677600      -2.843700      0.4494000    
 C   -2.512700      -1.072400      0.6585000    
 C    4.393500      -1.157000      0.1106000    
 C   -4.042100      -1.040700      0.7156000    
 C    4.013300      -2.436100      0.5115000    
 C    1.700900       2.515300      0.7043000    
 C   -4.609700      0.2970000      0.2709000    
 H  -9.3000000E-03   1.453300      -2.118100    
 H    1.714600       1.642000      -1.917700    
 H  -0.3818000       2.260900      0.2710000    
 H  -0.1555000      -2.872800      1.0400000E-02
 H    3.763600      0.7457000     -0.6795000    
 H    2.382500      -3.839800      0.7617000    
 H   -2.156000      -2.041900       1.025300    
 H   -2.103100     -0.3080000       1.329300    
 H   -4.346900      -1.154200       1.763800    
 H    5.438400     -0.8635000      0.1665000    
 H    4.766200      -3.129100      0.8780000    
 H  -0.3367000       3.808600      -1.539800    
 H    1.276200       3.985000      -1.439500    
 H   -4.271800      -3.025600      0.3541000    
 H   -4.350300      -2.106300     -0.9840000    
 H    2.225700       1.787500       2.435300    
 H   -4.527400       2.195400      0.6950000    


%chk=000164661-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164661

0 1
S -1.784181 -1.874759 -0.735262
O 1.788259 1.791271 1.647142
O 1.610104 3.690890 0.316713
O -2.966881 1.752865 0.867179
O -3.380168 1.207066 -1.349382
N 0.789677 -2.635569 0.062414
N -1.064702 2.943257 -0.284379
N -4.828960 -1.008732 -0.574008
C 0.755146 -0.440538 -0.595101
C 0.238829 0.899702 -1.041817
C 2.129167 -0.830579 -0.338466
C -0.038252 -1.574102 -0.350129
C 2.119635 -2.211601 0.073672
C -0.077720 1.894396 0.138688
C 3.376173 -0.157104 -0.449765
C 3.303127 -2.915578 0.390778
C -2.729058 -1.285309 0.838323
C 4.558715 -0.855540 -0.144364
C -3.956731 -0.405827 0.423852
C 4.522133 -2.219067 0.278257
C 1.175333 2.571072 0.677539
C -3.437184 0.935970 -0.112382
H -0.722463 0.739076 -1.569095
H 0.934668 1.389333 -1.749421
H -0.520918 1.303423 0.958175
H 0.447624 -3.574327 0.259841
H 3.421506 0.884941 -0.787924
H 3.281401 -3.964807 0.705355
H -3.078441 -2.196709 1.352699
H -2.023183 -0.739287 1.485715
H -4.504049 -0.191087 1.364753
H 5.527624 -0.352197 -0.236151
H 5.460622 -2.734287 0.510959
H -1.371674 2.814676 -1.261904
H -0.692547 3.896289 -0.155359
H -5.111097 -1.977952 -0.432028
H -4.618015 -0.730368 -1.535692
H 2.645724 2.204703 1.938289
H -2.250846 2.493595 0.424285


