%chk=000109055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109055

0 1
 S   0.7659000       4.004600      0.1422000    
 O  -0.6923000      -2.577700      0.2572000    
 O   -4.031400       1.553500     -0.3145000    
 O   0.2641000       4.665500       1.548800    
 O    2.211800       3.877700      0.2200000    
 O   0.1370000       4.726200     -0.9504000    
 N    1.406000      -1.036500      0.4345000    
 N   -2.123400       3.295400     -0.1646000    
 C  -0.9106000     -0.2213000      0.1295000    
 C   -1.782500      0.8592000     -1.9200001E-02
 C   0.4627000      5.2999998E-03  0.2805000    
 C   -1.281300       2.166500     -1.6899999E-02
 C   8.7899998E-02   2.387900      0.1337000    
 C   -1.425800      -1.605700      0.1285000    
 C   -2.877200      -1.830500     -3.1199999E-02
 C   -3.749200     -0.7500000     -0.1797000    
 C   -3.233700      0.6344000     -0.1789000    
 C   0.9580000       1.309600      0.2822000    
 C    2.760300      -1.153200      7.5300001E-02
 C   -3.378400      -3.137700     -3.3500001E-02
 C   -5.122400     -0.9766000     -0.3308000    
 C    3.637400      -1.946600      0.8211000    
 C    3.236400     -0.4644000      -1.044300    
 C   -4.747500      -3.359100     -0.1842000    
 C   -5.617700      -2.280900     -0.3325000    
 C    4.978200      -2.050100      0.4505000    
 C    5.447900      -1.360900     -0.6677000    
 C    4.577100     -0.5682000      -1.415000    
 C    3.161200      -2.694800       2.023600    
 C    6.881300      -1.471600      -1.064200    
 H    2.017600       1.487100      0.4384000    
 H    1.029300      -1.855600      0.9002000    
 H   -2.722900      -3.997000      8.0100000E-02
 H   -5.823900     -0.1550000     -0.4482000    
 H   -1.753900       4.234500     -0.1298000    
 H   -3.120500       3.178100     -0.2749000    
 H    2.578900      0.1396000      -1.663900    
 H   -5.135800      -4.373500     -0.1859000    
 H   -6.683200      -2.456100     -0.4496000    
 H    5.661700      -2.665900       1.030300    
 H    4.930000     -2.9600000E-02  -2.290400    
 H    2.460800      -3.483500       1.729900    
 H    3.988800      -3.172700       2.559200    
 H    2.671300      -2.018300       2.732000    
 H    7.277300      -2.466800     -0.8350000    
 H    7.008700      -1.316900      -2.141100    
 H    7.477300     -0.7242000     -0.5311000    
 H   0.5745000       4.208500       2.365600    


%chk=000109055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109055

0 1
S 0.835262 4.061363 0.023478
O -0.651835 -2.651920 0.302373
O -4.162675 1.588996 -0.246976
O 0.637295 4.277504 1.854206
O 2.407643 3.980280 -0.334722
O -0.099376 5.173276 -0.711030
N 1.369892 -1.101555 0.098712
N -2.211896 3.273398 -0.306436
C -0.939808 -0.262243 0.031010
C -1.856780 0.847680 -0.080600
C 0.489297 -0.037896 0.027130
C -1.372137 2.209660 -0.153473
C 0.058008 2.358366 -0.060531
C -1.452051 -1.637015 0.144303
C -2.910127 -1.868818 0.084448
C -3.812607 -0.775716 -0.049776
C -3.312246 0.618023 -0.130230
C 0.959313 1.314560 0.026558
C 2.778335 -1.112935 -0.086452
C -3.414860 -3.193021 0.168344
C -5.209431 -1.019489 -0.099842
C 3.534539 -2.089468 0.637934
C 3.436504 -0.258941 -1.011260
C -4.800857 -3.425845 0.114918
C -5.701491 -2.335063 -0.019452
C 4.930264 -2.145550 0.428933
C 5.607672 -1.276403 -0.464964
C 4.831154 -0.337946 -1.189836
C 2.850888 -3.038527 1.604932
C 7.114744 -1.345047 -0.630927
H 2.027204 1.528447 0.130611
H 0.858658 -2.007611 0.259144
H -2.697944 -4.012490 0.273952
H -5.878579 -0.159926 -0.200703
H -1.833263 4.217840 -0.440403
H -3.222034 3.038006 -0.337383
H 2.856424 0.433092 -1.629567
H -5.187358 -4.448674 0.177472
H -6.780349 -2.519362 -0.059638
H 5.511082 -2.890761 0.987063
H 5.316848 0.327886 -1.912552
H 2.160509 -3.732117 1.086175
H 3.592402 -3.651756 2.143129
H 2.248088 -2.491034 2.353217
H 7.494124 -2.370651 -0.476840
H 7.426857 -1.011948 -1.636213
H 7.625916 -0.692348 0.103662
H 0.984582 5.186401 2.093903


