%chk=000128051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128051

0 1
 S   -2.523800      -3.295000       4.191100    
 S    6.960900      -1.578700       1.740800    
 O   -3.923900      0.4972000     -0.4617000    
 O   -4.343500      -3.890800      -2.193100    
 O   0.3703000      0.3269000       2.476300    
 O   -3.665000       4.866300       1.265600    
 O    5.148200      0.4028000      -2.257700    
 N   0.3207000      -1.831800       1.631200    
 N    5.360300      0.5947000      4.3400001E-02
 C   -1.065400      0.4647000     -0.6577000    
 C   0.3988000      0.4566000     -0.7545000    
 C   -1.903200     -0.6918000      -1.066800    
 C   -1.703200       1.566900     -0.1769000    
 C    1.186700      1.2900000E-02  0.3008000    
 C   -3.290800     -0.6146000     -0.9475000    
 C   -3.171200       1.595300     -7.1500003E-02
 C   0.9805000      0.9076000      -1.933900    
 C   -1.349400      -1.877600      -1.577200    
 C  -0.9745000       2.768100      0.2549000    
 C    2.575800      1.9700000E-02  0.1754000    
 C    3.167300      0.4706000      -1.004700    
 C    2.369700      0.9146000      -2.059300    
 C   -4.112500      -1.682100      -1.322900    
 C   -3.816200       2.672100      0.4001000    
 C   0.6074000     -0.4659000       1.550600    
 C   -2.166100      -2.947600      -1.954000    
 C   -3.548100      -2.849800      -1.826900    
 C   -1.600500       3.852600      0.7280000    
 C   -3.076700       3.880800      0.8347000    
 C    4.615700      0.4776000      -1.136100    
 C  -0.2759000      -2.452600       2.792100    
 C    6.804400      0.6399000      7.5400002E-02
 C   -1.797600      -2.471900       2.741000    
 C    7.440700     -0.7377000      0.2012000    
 H   0.3732000       1.257300      -2.765100    
 H  -0.2750000      -1.995600      -1.693200    
 H    3.169300     -0.3623000       1.002000    
 H   0.1079000       2.804000      0.2002000    
 H    2.810800       1.273900      -2.985400    
 H   -5.192000      -1.601000      -1.221400    
 H   -4.897900       2.696000      0.4791000    
 H   -1.707300      -3.851800      -2.345200    
 H   -1.049700       4.731300       1.043300    
 H   0.5282000      -2.423900      0.8321000    
 H   7.1199998E-02  -1.921100       3.685700    
 H   0.1191000      -3.473900       2.833300    
 H    4.890100      0.7108000      0.9344000    
 H    7.160100       1.120000     -0.8430000    
 H    7.093900       1.283200      0.9140000    
 H   -2.139000      -2.995600       1.841700    
 H   -2.190700      -1.450900       2.689000    
 H   -3.783300      -4.616000      -2.519100    
 H    8.531200     -0.6469000      0.1858000    
 H    7.143300      -1.375300     -0.6377000    
 H   -2.039800      -2.445400       5.109100    
 H    7.479900     -0.6712000       2.580800    


%chk=000128051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128051

0 1
S -2.379290 -1.600164 5.404445
S 7.198464 -0.906364 2.246392
O -3.978724 0.127882 -0.740979
O -4.222829 -3.778765 -3.447267
O 1.514819 -0.524260 2.686352
O -4.056791 4.073711 1.982325
O 5.184417 0.758651 -2.439957
N -0.383360 -1.441417 1.722083
N 5.539312 0.374983 -0.173779
C -1.107651 0.142281 -0.727985
C 0.391850 0.146766 -0.790870
C -1.845375 -0.890595 -1.444318
C -1.813624 1.146055 -0.048964
C 1.243727 -0.215829 0.295956
C -3.279367 -0.861844 -1.432921
C -3.277236 1.142963 -0.039586
C 0.989076 0.585985 -2.004456
C -1.224869 -1.957839 -2.161301
C -1.171123 2.230911 0.677697
C 2.649205 -0.091057 0.150046
C 3.233589 0.357141 -1.054361
C 2.384062 0.684860 -2.141135
C -4.058905 -1.818981 -2.098753
C -4.033301 2.083682 0.618606
C 0.792613 -0.719391 1.654901
C -1.982391 -2.927698 -2.831920
C -3.404699 -2.852102 -2.801183
C -1.904168 3.186414 1.341778
C -3.387173 3.174549 1.358772
C 4.722007 0.508737 -1.279344
C -0.887391 -1.959140 3.007940
C 6.999024 0.482165 -0.261554
C -1.715928 -0.903901 3.772843
C 7.699572 -0.704501 0.419600
H 0.338314 0.873546 -2.837244
H -0.132424 -2.011102 -2.188965
H 3.241449 -0.361852 1.031438
H -0.077115 2.270306 0.679357
H 2.847630 1.023280 -3.073156
H -5.149177 -1.765572 -2.073182
H -5.125616 2.043044 0.597692
H -1.482227 -3.737371 -3.376472
H -1.419511 4.003551 1.886987
H -0.939540 -1.593545 0.879150
H -0.014712 -2.253179 3.617204
H -1.500892 -2.856948 2.817898
H 5.156582 0.184315 0.756272
H 7.255217 0.515930 -1.336030
H 7.342266 1.433395 0.194536
H -2.617176 -0.605970 3.211926
H -1.112501 -0.007477 3.982683
H -3.692153 -4.468033 -3.919238
H 8.795102 -0.598511 0.370760
H 7.407426 -1.659716 -0.045275
H -1.146787 -1.696192 6.032102
H 7.801704 0.259813 2.693054


