%chk=000100696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100696

0 1
 S   -5.386400     -0.8848000     -0.6519000    
 S   -7.038700      0.1198000      0.1534000    
 O   -8.324600     -0.6885000     -0.4382000    
 O   -7.009200     -7.8199998E-02   1.589800    
 O   -7.052200       1.455100     -0.4123000    
 N   -1.558600      0.2210000      0.1134000    
 C    4.723400      0.2839000     -0.1884000    
 C    5.098800      -1.054600      0.4619000    
 C    5.816700       1.333800      5.2200001E-02
 C    3.376000      0.7786000      0.3344000    
 C    6.467800      -1.543900     -4.9999999E-03
 C    7.184400      0.8404000     -0.4141000    
 C    7.550100     -0.4944000      0.2276000    
 C    2.222100     -9.9999998E-03 -0.2778000    
 C   0.8729000      0.5090000      0.2238000    
 C  -0.2826000     -0.3020000     -0.3603000    
 C   -2.669600     -0.5371000     -0.4441000    
 C   -3.990400      5.2000001E-02  3.5700001E-02
 H    4.649500      0.1325000      -1.274300    
 H    5.108800     -0.9507000       1.554500    
 H    4.359100      -1.825800      0.2231000    
 H    5.570200       2.261500     -0.4782000    
 H    5.866500       1.581600       1.120300    
 H    3.247400       1.836500      7.1599998E-02
 H    3.341000      0.7203000       1.429300    
 H    6.729800      -2.466500      0.5252000    
 H    6.422200      -1.791200      -1.072800    
 H    7.180400      0.7318000      -1.505800    
 H    7.948100       1.587600     -0.1705000    
 H    7.695500     -0.3531000       1.305700    
 H    8.503200     -0.8507000     -0.1794000    
 H    2.306300      -1.072000     -2.4100000E-02
 H    2.257500      6.5800004E-02  -1.371400    
 H   0.8456000      0.4565000       1.319700    
 H   0.7624000       1.565500     -5.1800001E-02
 H  -0.2396000     -0.2490000      -1.454900    
 H  -0.1723000      -1.353900     -6.9700003E-02
 H   -1.590600      0.1851000       1.131900    
 H   -2.628800     -0.4998000      -1.540100    
 H   -2.595000      -1.587900     -0.1365000    
 H   -4.082200       1.097500     -0.2778000    
 H   -4.053800      1.8500000E-02   1.128700    
 H   -9.205000     -0.3454000     -0.1563000    


%chk=000100696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100696

0 1
S -5.787206 -1.088475 1.051490
S -6.331106 0.571550 -0.700335
O -5.559266 -0.382473 -2.113257
O -7.908844 0.735851 -1.004940
O -5.430234 1.899500 -0.455905
N -1.740909 -0.191199 0.991901
C 4.519573 0.356234 -0.378150
C 5.002318 -1.035174 0.110568
C 5.619343 1.419811 -0.116134
C 3.179151 0.777053 0.279351
C 6.362125 -1.436669 -0.510701
C 6.981141 1.025056 -0.736139
C 7.443522 -0.364678 -0.239100
C 1.958498 -0.076364 -0.136213
C 0.666540 0.326292 0.609681
C -0.553012 -0.511231 0.177977
C -2.997183 -0.868281 0.637196
C -4.148928 -0.273742 1.461276
H 4.363353 0.295707 -1.479235
H 5.102010 -1.004411 1.217187
H 4.246091 -1.810242 -0.120471
H 5.290706 2.401588 -0.512377
H 5.740914 1.544260 0.981477
H 2.972013 1.838776 0.029002
H 3.295454 0.735947 1.383966
H 6.685886 -2.418629 -0.113458
H 6.240409 -1.559778 -1.607249
H 6.885847 1.001999 -1.841866
H 7.743919 1.791772 -0.497162
H 7.640630 -0.314204 0.852158
H 8.397317 -0.648405 -0.725156
H 2.164230 -1.148521 0.056108
H 1.800929 0.021305 -1.230616
H 0.829779 0.200871 1.701930
H 0.443856 1.398010 0.444577
H -0.799468 -0.300444 -0.881278
H -0.291919 -1.598218 0.233188
H -1.545334 -0.181643 2.002027
H -3.194763 -0.704683 -0.438587
H -2.965197 -1.975283 0.795087
H -4.246625 0.816850 1.287807
H -4.009925 -0.434997 2.548072
H -5.839534 0.064114 -2.967196


