%chk=000135836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135836

0 1
 S    2.368200      -2.182500      0.7008000    
 O   0.4518000       1.420300     -0.7575000    
 O    1.764900      -1.956100       1.999600    
 O    3.261600      -3.302600      0.4707000    
 O   7.2600000E-02   1.437300       1.530400    
 O   -1.352000     -0.9910000      -2.179400    
 N    1.149200      -2.194200     -0.5193000    
 N   -1.770200     -0.8636000      0.1347000    
 N   -3.747900     -0.7598000       1.427300    
 C  -0.7458000       3.269400      0.1383000    
 C    3.259000     -0.7276000      0.2881000    
 C    2.579500      0.3075000     -0.3568000    
 C    1.124500      0.2150000     -0.6100000    
 C   0.4496000     -0.9464000     -0.6925000    
 C  -3.6300000E-02   1.936900      0.4161000    
 C   -1.304100       3.835800       1.450800    
 C   -1.909600       3.037000     -0.8394000    
 C   0.2436000       4.257800     -0.4936000    
 C    4.627800     -0.6729000      0.5585000    
 C    3.334900       1.425300     -0.7457000    
 C   0.4161000      -3.476100     -0.6774000    
 C  -0.9856000     -0.9374000      -1.007400    
 C    5.350500      0.4523000      0.1765000    
 C    4.706500       1.498500     -0.4790000    
 C   -3.184200     -0.8332000      0.2094000    
 C   -3.871500     -0.8829000     -0.9840000    
 C   -5.260300     -0.8544000     -0.9215000    
 C   -5.099400     -0.7341000       1.448400    
 C   -5.893600     -0.7786000      0.3141000    
 H  -0.5024000       4.018500       2.175500    
 H   -2.013900       3.141000       1.914800    
 H   -1.825200       4.785200       1.284100    
 H   -1.560600       2.658100      -1.806600    
 H   -2.461400       3.965000      -1.026800    
 H   -2.615700       2.300700     -0.4395000    
 H    1.121400       4.395300      0.1483000    
 H   0.6054000       3.908000      -1.466900    
 H  -0.2195000       5.239100     -0.6457000    
 H    5.138900      -1.489100       1.060000    
 H    2.865500       2.259900      -1.261900    
 H    1.110900      -4.320800     -0.6657000    
 H  -9.6000001E-02  -3.501900      -1.644300    
 H  -0.3163000      -3.602400      0.1253000    
 H    6.415300      0.5118000      0.3813000    
 H    5.270000       2.375300     -0.7851000    
 H   -1.305600     -0.8270000       1.039200    
 H   -3.452900     -0.9414000      -1.974300    
 H   -5.849500     -0.8908000      -1.833000    
 H   -5.544500     -0.6745000       2.436100    
 H   -6.974900     -0.7550000      0.3867000    


%chk=000135836-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135836

0 1
S 2.680795 -2.400029 0.721719
O 0.413716 1.331322 -0.566884
O 2.231428 -2.310517 2.278208
O 3.538724 -3.690655 0.236676
O -0.297339 1.324238 1.659521
O -1.340240 -1.624535 -2.006344
N 1.180007 -2.313348 -0.432344
N -1.838660 -0.758818 0.124025
N -3.789953 -0.161914 1.224279
C -0.840523 3.280618 0.208826
C 3.448080 -0.800318 0.148948
C 2.592882 0.276433 -0.214149
C 1.153647 0.116578 -0.372499
C 0.500544 -1.099715 -0.498953
C -0.234315 1.919310 0.566775
C -1.530408 3.855592 1.469358
C -1.885097 3.073878 -0.929584
C 0.285443 4.236159 -0.282407
C 4.848598 -0.717847 0.210391
C 3.246007 1.517365 -0.487785
C 0.608682 -3.623991 -0.783981
C -0.978445 -1.175315 -0.877921
C 5.457451 0.518583 -0.090693
C 4.645518 1.633076 -0.421380
C -3.256418 -0.688667 0.081007
C -4.040338 -1.117192 -1.023478
C -5.441067 -0.989415 -0.914959
C -5.144119 -0.052745 1.302581
C -6.013465 -0.452618 0.262017
H -0.807379 4.005495 2.289841
H -2.316433 3.173321 1.836321
H -1.991644 4.829104 1.224021
H -1.417691 2.639100 -1.828706
H -2.323261 4.052784 -1.195972
H -2.704970 2.410249 -0.601098
H 1.066482 4.370569 0.488370
H 0.753949 3.855783 -1.206206
H -0.152072 5.227403 -0.498683
H 5.443763 -1.596881 0.477682
H 2.630347 2.373202 -0.776074
H 1.419341 -4.371032 -0.717137
H 0.242670 -3.583383 -1.822431
H -0.219615 -3.921990 -0.113641
H 6.547149 0.612155 -0.063048
H 5.115065 2.597146 -0.643269
H -1.434907 -0.413762 1.008902
H -3.556008 -1.524300 -1.911858
H -6.078195 -1.310047 -1.745805
H -5.532684 0.370061 2.235532
H -7.096240 -0.345787 0.373989


