%chk=000155772.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155772

0 1
 S    4.271900      -1.247600     -0.2356000    
 O    4.452400      -2.467700      0.6462000    
 O   -4.706500      -3.328200     -0.1435000    
 O   -2.619100       4.821900     -0.1748000    
 O    7.086700     -1.5100000E-02 -0.5334000    
 N    1.507600      -1.662900     -0.2085000    
 N    2.126500      0.4699000     -0.2178000    
 C   0.3498000     -0.9373000     -0.1981000    
 C   0.7599000      0.3727000     -0.2037000    
 C  -0.9533000      -1.553700     -0.1841000    
 C    2.547500     -0.7754000     -0.2198000    
 C  -0.1089000       1.516000     -0.1962000    
 C   -1.596900      -1.853500      -1.385200    
 C   -1.572200      -1.850700       1.030700    
 C    5.001200      0.1613000      0.6490000    
 C  -0.5187000       2.072500       1.015300    
 C  -0.5429000       2.070000      -1.400600    
 C   -2.857900      -2.449700      -1.371600    
 C   -2.833300      -2.447000       1.044200    
 C   -3.476000      -2.746400     -0.1568000    
 C   -1.362600       3.183200       1.022500    
 C   -1.386700       3.180600      -1.393300    
 C   -1.796600       3.737300     -0.1817000    
 C    6.506900      1.3100000E-02  0.7647000    
 C   -5.280500      -3.604200       1.133100    
 C   -2.998200       5.340800       1.099000    
 H    1.584000      -2.671700     -0.2076000    
 H   -1.129000      -1.628000      -2.340600    
 H   -1.083900      -1.622500       1.975300    
 H    4.544700      0.2251000       1.641400    
 H    4.757500       1.065400      8.1799999E-02
 H  -0.1886000       1.651500       1.962300    
 H  -0.2325000       1.648000      -2.353500    
 H   -3.354000      -2.680300      -2.310400    
 H   -3.255800      -2.650000       2.022300    
 H   -1.642200       3.565000       1.998400    
 H   -1.721400       3.608000      -2.334500    
 H    6.938000      0.8535000       1.317700    
 H    6.782900     -0.9122000       1.280000    
 H    6.862800      0.8229000     -0.9730000    
 H   -5.459700      -2.685000       1.701000    
 H   -4.682200      -4.329400       1.695000    
 H   -6.257500      -4.065500      0.9554000    
 H   -2.131500       5.711300       1.656800    
 H   -3.580900       4.612400       1.673000    
 H   -3.651800       6.200100      0.9164000    


%chk=000155772-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155772

0 1
S 4.316893 -0.465236 -0.932194
O 4.210541 -2.143865 -1.125745
O -4.029411 -4.294655 -0.174657
O -3.211657 5.033259 0.452875
O 7.270867 -0.307265 0.291732
N 1.640103 -1.139613 -0.696826
N 1.925309 1.080472 -0.374864
C 0.352084 -0.627629 -0.462662
C 0.543732 0.770589 -0.276087
C -0.809572 -1.530575 -0.386196
C 2.519879 -0.088118 -0.617851
C -0.431151 1.858366 -0.070596
C -0.929555 -2.638958 -1.275613
C -1.809961 -1.361676 0.606221
C 4.870076 -0.308470 0.946889
C -0.000906 3.073655 0.522662
C -1.789175 1.765965 -0.492933
C -2.004504 -3.537269 -1.178398
C -2.899751 -2.250579 0.710328
C -2.998275 -3.346320 -0.184876
C -0.885701 4.154683 0.719787
C -2.681482 2.833611 -0.303417
C -2.236843 4.032507 0.309677
C 6.232212 -0.981537 1.079012
C -5.086170 -4.137544 0.828848
C -2.793663 6.299992 1.057145
H 1.959195 -2.104623 -0.850510
H -0.186376 -2.784161 -2.068649
H -1.729705 -0.529534 1.313113
H 4.081860 -0.839775 1.504917
H 4.864558 0.770653 1.177092
H 1.048779 3.164305 0.819037
H -2.145534 0.860083 -0.992419
H -2.102049 -4.385093 -1.862837
H -3.649122 -2.086240 1.490292
H -0.514780 5.074188 1.182764
H -3.722476 2.768816 -0.634410
H 6.507337 -1.043327 2.153898
H 6.179595 -2.004869 0.669180
H 7.434476 0.597834 0.660307
H -5.619324 -3.175171 0.704058
H -4.678657 -4.207179 1.856019
H -5.779170 -4.971900 0.647625
H -2.002754 6.791007 0.457217
H -2.433651 6.152340 2.094186
H -3.697120 6.927356 1.064060


