%chk=000105910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105910

0 1
 S   -8.948300     -1.0500000E-02  0.1294000    
 O   -1.042100       2.360400     -0.2257000    
 O    1.609200      -2.437600      0.3763000    
 O    9.135200     -5.7799999E-02  7.1699999E-02
 O   -9.585200     -0.3061000      -1.347200    
 O   -9.319000      -1.129700      0.9832000    
 O   -9.289900       1.353000      0.5036000    
 N   -2.485800      5.0299998E-02  0.4404000    
 N    3.053200     -0.1274000     -0.2889000    
 N   -3.067400     -0.1692000     -0.6474000    
 N    3.635900      9.1600001E-02  0.7992000    
 C   -1.098500      1.2600000E-02  0.2556000    
 C    1.660600     -8.9699998E-02 -0.1042000    
 C  -0.3949000       1.170800     -7.4600004E-02
 C   0.9622000      -1.248100      0.2254000    
 C  -0.4200000      -1.197000      0.4057000    
 C   0.9873000       1.119600     -0.2548000    
 C   -7.218100     -5.7100002E-02 -0.1000000    
 C   -4.460100     -0.1317000     -0.4624000    
 C   -6.527600      -1.260100      4.7200002E-02
 C   -6.526000       1.108400     -0.4288000    
 C   -5.145100      -1.297500     -0.1343000    
 C   -5.143400       1.071100     -0.6106000    
 C    5.021700      5.3900000E-02  0.6159000    
 C    7.786500     -2.0900000E-02  0.2511000    
 C    5.712400      -1.149000      0.7636000    
 C    5.713300       1.219300      0.2858000    
 C    7.094800      -1.186300      0.5812000    
 C    7.095700       1.181900      0.1034000    
 C    9.693700      0.8781000     -0.8489000    
 C   -1.180300       3.174800      0.9368000    
 C    1.747100      -3.252100     -0.7862000    
 C    10.94300      0.2817000      -1.461600    
 H  -0.9657000      -2.101200      0.6649000    
 H    1.533900       2.023200     -0.5139000    
 H   -7.046500      -2.181400      0.2959000    
 H   -7.042900       2.055300     -0.5562000    
 H   -4.614900      -2.239200     -2.0199999E-02
 H   -4.611900       1.983200     -0.8689000    
 H    5.182100      -2.062300       1.020800    
 H    5.184300       2.162500      0.1753000    
 H    7.627500      -2.126200      0.6971000    
 H    7.599200       2.116500     -0.1255000    
 H    9.002000       1.106200      -1.669500    
 H    9.947000       1.800800     -0.3151000    
 H  -0.1970000       3.463000       1.321900    
 H   -1.725600       4.080400      0.6573000    
 H   -1.748300       2.650200       1.711400    
 H    2.314600      -2.727300      -1.561100    
 H   0.7637000      -3.540400      -1.170800    
 H    2.292700      -4.157700     -0.5069000    
 H    10.70800     -0.6495000      -1.987600    
 H    11.67230      3.2000002E-02 -0.6839000    
 H    11.40460      0.9786000      -2.166700    
 H   -9.363000      -1.185000      -1.735200    


%chk=000105910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105910

0 1
S -9.353335 0.106752 0.433715
O -0.564426 2.592185 0.069721
O 1.015879 -2.821386 -0.176828
O 9.376775 -0.264452 -0.513198
O -9.651014 0.200665 -1.401952
O -10.039052 -1.247880 0.994047
O -9.720929 1.543616 1.082071
N -2.578969 0.379361 0.099093
N 3.034341 -0.609768 -0.207658
N -3.347118 -0.691527 0.105853
N 3.793506 0.467282 -0.215941
C -1.191156 0.116650 0.023272
C 1.638983 -0.342803 -0.131508
C -0.271486 1.234396 0.012477
C 0.718895 -1.462483 -0.120837
C -0.657705 -1.199895 -0.044137
C 1.107991 0.969981 -0.064555
C -7.501585 -0.100254 0.318232
C -4.744090 -0.403695 0.179883
C -6.987122 -1.406495 0.264152
C -6.707729 1.062521 0.307668
C -5.587892 -1.548905 0.197141
C -5.313185 0.903913 0.240427
C 5.186425 0.215268 -0.291512
C 8.006734 -0.025380 -0.438865
C 5.798216 -1.077151 -0.354575
C 6.012987 1.371355 -0.303866
C 7.188714 -1.193124 -0.427069
C 7.413484 1.264407 -0.377166
C 10.295098 0.899411 -0.529380
C -1.928255 3.132692 0.160359
C 2.379933 -3.360901 -0.277991
C 11.712001 0.340886 -0.611377
H -1.356588 -2.039927 -0.036039
H 1.807768 1.809362 -0.072753
H -7.655271 -2.272463 0.289248
H -7.173513 2.051303 0.365857
H -5.120203 -2.536961 0.154049
H -4.649092 1.771643 0.230561
H 5.159967 -1.965008 -0.344944
H 5.525310 2.350405 -0.254824
H 7.681570 -2.168996 -0.476003
H 8.024546 2.170831 -0.385332
H 10.057434 1.535629 -1.405599
H 10.144325 1.491995 0.395348
H -2.436637 2.775475 1.072197
H -1.777630 4.223117 0.193981
H -2.528475 2.843860 -0.719368
H 2.985929 -3.078467 0.599420
H 2.884716 -3.000395 -1.190110
H 2.227140 -4.451201 -0.316448
H 11.843484 -0.257800 -1.528460
H 11.929481 -0.301887 0.258278
H 12.443400 1.169045 -0.626154
H -10.636373 0.316596 -1.539601


