%chk=000135862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135862

0 1
 S    4.922800      -1.213100      8.7399997E-02
 O   -1.169200      0.5245000       1.410700    
 O   -3.674800       1.195500       2.473900    
 O    3.551400      -1.270800     -0.8138000    
 O    6.083000      -1.747800     -0.9289000    
 O    5.218100      0.1699000      0.4136000    
 O    4.790200      -2.194900       1.148200    
 N   -4.792400     -0.2143000     -0.7624000    
 C   -3.531100      0.8266000       1.099300    
 C   -4.857000      0.2278000      0.6240000    
 C   -6.047200     -0.8306000      -1.171500    
 C   -2.353100     -0.1373000      0.9751000    
 C   0.8122000       1.023700      0.1223000    
 C   6.6999998E-03  0.1259000      0.8416000    
 C    2.023000      0.5634000     -0.4478000    
 C   -6.357000      -2.036200     -0.2888000    
 C   -5.959500      -1.234600      -2.639800    
 C    2.392500     -0.7814000     -0.2819000    
 C   0.3894000      -1.206800      0.9965000    
 C   0.4426000       2.368400     -4.3600000E-02
 C    1.580000      -1.659500      0.4358000    
 C    2.828500       1.461300      -1.166900    
 C    1.255100       3.246600     -0.7612000    
 C    2.445800       2.793900      -1.321800    
 H   -3.305200       1.746900      0.5469000    
 H   -5.082400     -0.5934000       1.312700    
 H   -5.653900      0.9709000      0.7555000    
 H   -6.866100     -0.1055000      -1.079500    
 H   -2.241500     -0.4749000     -6.2399998E-02
 H   -2.512000      -1.008900       1.620900    
 H   -4.578600      0.5790000      -1.366200    
 H   -6.705600      -1.748200      0.7079000    
 H   -5.489900      -2.698200     -0.1821000    
 H   -7.165000      -2.631900     -0.7301000    
 H   -5.165300      -1.971100      -2.806700    
 H   -6.903200      -1.676200      -2.977900    
 H   -5.755100     -0.3663000      -3.276400    
 H  -0.2254000      -1.902900       1.560600    
 H  -0.4816000       2.754300      0.3811000    
 H    1.869300      -2.699500      0.5613000    
 H   -4.398700       1.842400       2.529600    
 H    3.755100       1.142100      -1.637400    
 H   0.9572000       4.283900     -0.8834000    
 H    3.075400       3.477100      -1.884400    
 H    5.857200      -2.564500      -1.433100    


%chk=000135862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135862

0 1
S 3.234655 -3.570838 0.408079
O -1.169671 1.160925 0.245525
O -3.412249 1.720403 2.192039
O 4.140538 -0.410366 -0.453620
O 4.818334 -2.821392 0.245314
O 2.575449 -3.691098 -1.074884
O 2.321859 -1.979149 1.082478
N -4.890447 -0.519491 -0.468503
C -3.497531 1.027389 0.896581
C -4.735472 0.097694 0.861368
C -5.973021 -1.535455 -0.610431
C -2.207058 0.235918 0.738302
C 1.085115 1.656294 -0.383152
C 0.110023 0.637291 0.053162
C 2.456438 1.295329 -0.595178
C -5.606540 -2.836031 0.136913
C -6.190171 -1.807743 -2.112492
C 2.903243 -0.087210 -0.370243
C 0.461815 -0.674246 0.227255
C 0.697559 3.007957 -0.568360
C 1.854090 -1.161812 -0.046099
C 3.403548 2.281817 -0.983314
C 1.644833 3.973301 -0.965325
C 3.002060 3.614515 -1.176467
H -3.565914 1.763679 0.064131
H -4.602272 -0.695903 1.619324
H -5.628805 0.696229 1.180377
H -6.934087 -1.150026 -0.183302
H -2.365607 -0.576630 0.002573
H -1.900132 -0.178724 1.718447
H -4.970754 0.198394 -1.203760
H -5.480392 -2.671603 1.222216
H -4.662317 -3.247056 -0.263385
H -6.404788 -3.589300 0.006649
H -5.258653 -2.188539 -2.569448
H -6.985715 -2.558597 -2.261934
H -6.489858 -0.887656 -2.651122
H -0.250006 -1.438190 0.548068
H -0.344517 3.283339 -0.389130
H 1.831531 -1.841039 -0.953208
H -4.206029 2.302811 2.305023
H 4.442861 1.969902 -1.126312
H 1.329259 5.012730 -1.108095
H 3.729948 4.371307 -1.485924
H 4.673548 -1.833829 -0.093234


