%chk=000148846.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148846

0 1
 S   -5.943700     -0.1559000      0.3577000    
 O   -7.272800      0.3421000      0.6595000    
 O   -5.685400     -0.8629000     -0.8810000    
 N   0.4519000      0.3921000      -1.253300    
 N    4.090800     -0.1403000      0.7569000    
 N   -4.817800       1.128400      0.5798000    
 N    1.062500      -4.627700     -0.5854000    
 C    1.685100      0.2111000     -0.5708000    
 C    2.117900      -1.079600     -0.2501000    
 C    2.456500       1.325900     -0.2270000    
 C    3.344000      -1.210600      0.4235000    
 C    3.669400       1.100700      0.4457000    
 C    1.362900      -2.217600     -0.5833000    
 C  -0.8604000      0.5747000     -0.7974000    
 C    2.046000       2.634300     -0.5367000    
 C    3.780100      -2.493100      0.7456000    
 C    1.821200      -3.488700     -0.2499000    
 C    4.441700       2.206600      0.7908000    
 C    3.032400      -3.626200      0.4161000    
 C   -1.910000      0.7326000      -1.709400    
 C   -1.134100      0.6021000      0.5748000    
 C   -3.481300      0.9418000      0.1139000    
 C    2.836500       3.722900     -0.1806000    
 C    4.036900       3.508100      0.4845000    
 C   -3.216000      0.9157000      -1.255300    
 C   -2.440100      0.7851000       1.029000    
 C   -5.474300      -1.221500       1.702500    
 H   0.5575000      0.3812000      -2.263600    
 H   0.4143000      -2.132600      -1.108800    
 H    1.115500       2.837800      -1.060400    
 H    4.726100      -2.627100       1.267400    
 H    5.386500       2.064600       1.312500    
 H    3.410300      -4.608800      0.6866000    
 H   -1.718400      0.7172000      -2.779600    
 H  -0.3430000      0.4823000       1.310600    
 H    2.518000       4.732200     -0.4219000    
 H    4.661500       4.350600      0.7667000    
 H   -4.014400       1.049200      -1.980600    
 H   -2.635200      0.8024000       2.098100    
 H   -4.879800       1.611100       1.486400    
 H    1.398400      -5.549800     -0.3411000    
 H   0.1806000      -4.524700      -1.069400    
 H   -5.546100     -0.6656000       2.639200    
 H   -6.168800      -2.064600       1.720200    
 H   -4.459500      -1.586700       1.537200    


%chk=000148846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148846

0 1
S -6.188200 0.394023 0.531296
O -7.549868 1.073826 1.114238
O -6.191400 -0.465871 -0.854177
N 0.318888 -0.102234 -1.237468
N 4.116541 -0.179427 0.796020
N -4.765848 1.921089 0.240355
N 1.837309 -5.050538 -0.857574
C 1.553589 -0.103101 -0.524475
C 2.217112 -1.354584 -0.315944
C 2.175937 1.109894 -0.091772
C 3.524322 -1.320828 0.336199
C 3.459320 1.009897 0.599565
C 1.657280 -2.615363 -0.700375
C -0.919211 0.408606 -0.820897
C 1.633584 2.420056 -0.338211
C 4.224447 -2.566355 0.524091
C 2.364147 -3.813614 -0.497980
C 4.097362 2.209627 1.070683
C 3.676271 -3.769583 0.115193
C -2.012401 0.399312 -1.742832
C -1.133240 0.912089 0.498361
C -3.489149 1.405109 -0.055091
C 2.290340 3.560891 0.117557
C 3.526076 3.458074 0.843297
C -3.268714 0.889865 -1.372067
C -2.401424 1.375923 0.874403
C -5.521916 -0.817035 1.889208
H 0.303386 -0.657612 -2.096989
H 0.644798 -2.654968 -1.119299
H 0.698531 2.518144 -0.896875
H 5.206025 -2.515917 1.004780
H 5.049513 2.091501 1.597018
H 4.224902 -4.707632 0.265095
H -1.857407 0.018012 -2.759828
H -0.311674 0.915188 1.219812
H 1.864642 4.549917 -0.084718
H 4.021353 4.367113 1.201156
H -4.103961 0.897263 -2.077818
H -2.557474 1.743676 1.897301
H -4.808164 2.389861 1.170131
H 2.354365 -5.907320 -0.682619
H 0.916276 -5.125685 -1.280325
H -5.552179 -0.270997 2.842029
H -6.215499 -1.669276 1.873530
H -4.505186 -1.102221 1.585616


