%chk=000093313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093313

0 1
 S  -0.7546000       4.355500      0.1634000    
 S   -2.086300       3.113400     -0.7897000    
 O    2.635500      0.6819000     -0.7843000    
 O   -3.224000     -8.8600002E-02  0.6401000    
 O    5.469900       1.058500     -0.5137000    
 O    2.100900      -2.064500     -0.1381000    
 O  -0.5777000     -0.5911000     -0.3557000    
 O   -4.505800      -2.644800      0.9083000    
 O    2.323300       1.182500       1.449100    
 O   -3.930000      7.1099997E-02  -1.553500    
 N    3.573000     -0.2754000     -0.3385000    
 N   -2.686600      -1.342200      0.2738000    
 C    5.567000      -1.221300      0.2937000    
 C    4.448500      -2.258100      0.4184000    
 C   -1.215200      -2.921100     -0.5086000    
 C   -2.519300      -3.602900     -8.8900000E-02
 C    4.896700      1.4900000E-02 -0.2422000    
 C    3.206200      -1.552200     -5.3599998E-02
 C   -1.417100      -1.463300     -0.1946000    
 C   -3.388100      -2.493800      0.4398000    
 C    1.082400       2.361900     -0.2793000    
 C   -4.388300       1.853300      3.7900001E-02
 C    2.073300       1.355600      0.2638000    
 C   -3.836400      0.5206000     -0.4192000    
 C   0.4352000       3.171700      0.8384000    
 C   -3.282700       2.778500      0.5332000    
 H    6.019100      -1.005500       1.266200    
 H    6.341400      -1.554900     -0.4030000    
 H    4.642700      -3.129300     -0.2138000    
 H    4.319700      -2.581000       1.455600    
 H   -1.025200      -3.047800      -1.578200    
 H  -0.3679000      -3.311000      6.2199999E-02
 H   -2.344900      -4.344000      0.6965000    
 H   -3.008800      -4.082600     -0.9414000    
 H    1.628700       3.030100     -0.9564000    
 H   0.3492000       1.794000     -0.8568000    
 H   -4.935000       2.307900     -0.7968000    
 H   -5.121100       1.667000      0.8313000    
 H  -6.6600002E-02   2.521000       1.563200    
 H    1.198600       3.731500       1.389800    
 H   -3.729000       3.723700      0.8594000    
 H   -2.760800       2.331700       1.385800    


%chk=000093313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093313

0 1
S -0.739180 4.388401 0.699020
S -2.124727 3.519714 -0.872320
O 2.370608 0.428016 -0.762043
O -3.574709 0.004537 0.508827
O 5.163608 1.116772 -0.577402
O 2.093156 -2.450716 -0.338336
O -0.742454 -0.145981 0.930820
O -4.584576 -2.663619 -0.098754
O 2.488807 0.937048 1.550558
O -3.307890 0.124220 -1.842226
N 3.425789 -0.494045 -0.519101
N -2.807747 -1.191787 0.457779
C 5.607486 -1.328670 -0.207977
C 4.591537 -2.501578 -0.157752
C -0.961993 -2.632416 0.635821
C -2.210032 -3.445952 0.195406
C 4.783670 -0.062628 -0.454567
C 3.202404 -1.878257 -0.337782
C -1.410080 -1.176349 0.703504
C -3.381520 -2.460083 0.149932
C 1.060173 2.285990 0.013744
C -4.450768 1.951309 -0.579979
C 2.007274 1.193391 0.445652
C -3.725976 0.639477 -0.804776
C 0.265560 2.858286 1.194369
C -3.595459 2.971177 0.211030
H 6.163975 -1.204584 0.736496
H 6.352207 -1.434214 -1.014778
H 4.752211 -3.243862 -0.958282
H 4.609916 -3.045853 0.801331
H -0.100406 -2.709862 -0.046916
H -0.594695 -2.929903 1.634378
H -2.460086 -4.271391 0.882583
H -2.090019 -3.883094 -0.811127
H 1.670322 3.074356 -0.470739
H 0.375945 1.890192 -0.757191
H -4.742117 2.351496 -1.565685
H -5.371609 1.750877 -0.001016
H -0.411327 2.099110 1.610335
H 0.927826 3.236528 1.994237
H -4.191359 3.863682 0.455731
H -3.193844 2.521168 1.130796


