%chk=000158635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158635

0 1
 S   -4.541600       1.805500      0.2466000    
 O    6.139400       1.358900     -0.8949000    
 O   0.3823000      -1.897300       1.157800    
 O   -1.339700      -3.102800     -0.4245000    
 O   -5.948300       1.430000      0.2740000    
 O   -3.979500       2.584300       1.341200    
 N    4.262400      0.5316000      0.2658000    
 N   0.5497000      0.3814000      0.7527000    
 N   -4.214700       2.611400      -1.224100    
 C    2.855800      0.3181000     -2.8800000E-02
 C    2.599700       1.314000      -1.153800    
 C    3.931500       1.377000      -1.890600    
 C    1.917700      0.5287000       1.149900    
 C    4.944300       1.121800     -0.7999000    
 C    4.905000     -2.4000001E-03   1.450600    
 C    5.260600      -1.464600       1.277700    
 C  -0.1205000     -0.8393000      0.7886000    
 C   -1.529900     -0.8305000      0.3187000    
 C   -2.263000      0.3279000      0.4846000    
 C   -2.066600      -1.961300     -0.2627000    
 C   -3.588400      0.3558000      5.0700001E-02
 C   -3.391800      -1.933400     -0.6966000    
 C   -4.152700     -0.7749000     -0.5401000    
 C  -0.6117000      -3.239800      -1.642800    
 H    2.759800     -0.7049000     -0.4159000    
 H    1.777200       1.013600      -1.810100    
 H    2.365100       2.308500     -0.7525000    
 H    4.013200      0.5833000      -2.639700    
 H    4.093400       2.352100      -2.356400    
 H    2.034100       1.532100       1.574600    
 H    2.126700     -0.1925000       1.947000    
 H    5.831100      0.5609000       1.613100    
 H    4.273700      0.1562000       2.328300    
 H   9.7900003E-02   1.204200      0.3683000    
 H    5.778600      -1.838900       2.165900    
 H    5.914700      -1.613200      0.4120000    
 H    4.363000      -2.072900       1.125400    
 H   -1.848100       1.206100      0.9681000    
 H   -3.837900      -2.810200      -1.158400    
 H   -5.180800     -0.7737000     -0.8912000    
 H   -3.624900       3.451800      -1.186400    
 H   -4.971500       2.665300      -1.916700    
 H   8.7600000E-02  -2.408400      -1.776800    
 H   -1.299100      -3.291200      -2.493100    
 H  -4.1400000E-02  -4.171700      -1.597900    


%chk=000158635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158635

0 1
S -4.793502 1.651538 0.701964
O 6.519268 1.145964 -0.530993
O 0.534992 -1.636096 1.046882
O -1.482627 -3.046178 -1.152796
O -6.313910 1.095094 0.882444
O -3.989040 2.466572 1.861106
N 4.362188 0.511827 0.195901
N 0.554355 0.516113 0.171237
N -4.756079 2.787151 -0.757304
C 2.995688 0.347538 -0.347559
C 3.029011 1.201083 -1.652368
C 4.525251 1.266358 -2.045511
C 1.910850 0.797799 0.663943
C 5.282153 0.994798 -0.736567
C 4.787934 -0.026531 1.500558
C 4.565344 -1.549180 1.635145
C -0.064500 -0.698349 0.427962
C -1.506847 -0.783988 -0.008062
C -2.352005 0.295914 0.370007
C -2.110603 -1.923326 -0.637329
C -3.728498 0.215591 0.151584
C -3.525174 -1.975837 -0.806343
C -4.349408 -0.913059 -0.414803
C -0.030498 -3.123279 -1.387955
H 2.804144 -0.721476 -0.582083
H 2.392861 0.768697 -2.441931
H 2.655727 2.219544 -1.432880
H 4.805108 0.481237 -2.772883
H 4.834569 2.233773 -2.472425
H 2.011193 1.879866 0.866188
H 2.030681 0.246259 1.612307
H 5.862385 0.216931 1.583036
H 4.262477 0.507772 2.316183
H 0.076648 1.208462 -0.407660
H 4.941589 -1.892769 2.615556
H 5.114909 -2.095502 0.848155
H 3.495361 -1.821305 1.573369
H -1.941492 1.161922 0.901206
H -3.941402 -2.874269 -1.270135
H -5.437218 -0.958578 -0.524154
H -4.596218 3.740813 -0.388563
H -5.654272 2.701420 -1.263040
H 0.505828 -3.276998 -0.438911
H 0.336513 -2.203086 -1.881878
H 0.088664 -3.983631 -2.062900


