%chk=000135784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135784

0 1
 S   -6.643100      -1.281100      0.6553000    
 O   -4.689800      -2.279300      -1.736500    
 O   -7.470800      -2.538900      1.1600000E-02
 O   -6.868900     -0.1345000     -0.2200000    
 O   -7.030700      -1.191000       2.059900    
 O  -0.5262000     -0.8165000       1.303000    
 O    1.644800      -1.417000      -1.943400    
 O    3.509500      0.9126000       1.042500    
 O    6.127700      0.9706000       1.023200    
 O   -1.662000       5.830200      0.1853000    
 N   -5.028100      -1.745200      0.5539000    
 N   -2.000100     -0.9574000     -0.4811000    
 N    3.486000     -0.7085000     -0.6755000    
 N    1.346300      0.2775000     -0.4166000    
 N    6.180200      -1.165500      8.5500002E-02
 C   -2.955900      -1.875600      0.1625000    
 C   -3.833700      -1.221200       1.250600    
 C   -4.298400      -2.057300     -0.6144000    
 C  -5.7500001E-02  0.4729000     -0.6966000    
 C  -0.8528000     -0.5042000      0.1594000    
 C    4.363500      -1.586700      -1.446500    
 C    5.403900      -2.214300     -0.5455000    
 C  -0.4855000       1.902600     -0.4618000    
 C    2.115600     -0.6760000      -1.075500    
 C    4.078800      0.1118000      0.3079000    
 C    7.586500      -1.423800      0.3458000    
 C    5.574800      1.0500000E-02  0.4984000    
 C  -0.9594000       2.672900      -1.523800    
 C  -0.4070000       2.452400      0.8178000    
 C    7.785100      -2.127500       1.672400    
 C   -1.354600       3.992800      -1.306400    
 C  -0.8021000       3.772300       1.035400    
 C   -1.275900       4.542400     -2.6799999E-02
 H   -2.497100      -2.830000      0.4422000    
 H   -3.712700      -1.627300       2.258000    
 H   -3.816800     -0.1270000       1.286100    
 H   -2.186300     -0.6267000      -1.425000    
 H  -0.2173000      0.2141000      -1.751200    
 H    3.790900      -2.371900      -1.950000    
 H    4.837800     -0.9699000      -2.220000    
 H    6.061100      -2.861600      -1.135200    
 H    4.939600      -2.811800      0.2472000    
 H    1.763800      0.8186000      0.3321000    
 H    8.119800     -0.4667000      0.3728000    
 H    8.009600      -2.008600     -0.4778000    
 H   -8.450000      -2.426300     -1.6500000E-02
 H   -1.026700       2.258700      -2.526200    
 H  -3.6699999E-02   1.871700       1.658100    
 H    7.383500      -1.532800       2.499600    
 H    7.278200      -3.098000       1.683500    
 H    8.850000      -2.297000       1.859000    
 H   -1.723000       4.587800      -2.137600    
 H  -0.7352000       4.189100       2.036600    
 H   -1.541200       6.044400       1.126300    


%chk=000135784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135784

0 1
S -6.501259 -1.730942 0.847607
O -4.414885 -2.415184 -2.019529
O -6.696894 -3.558767 0.681682
O -7.518248 -1.033116 -0.186578
O -6.465067 -1.304562 2.397882
O -0.584207 -0.472110 1.073659
O 1.373588 -1.423160 -1.682886
O 3.722679 1.442195 0.290173
O 6.482729 0.927964 0.414083
O -1.683684 6.211064 0.450214
N -4.758174 -1.703239 0.302511
N -1.910280 -0.756103 -0.804387
N 3.405203 -0.625112 -0.783376
N 1.398320 0.689874 -0.712632
N 6.024861 -1.347343 0.109522
C -2.718982 -1.767860 -0.150491
C -3.541345 -1.323574 1.111749
C -4.075602 -2.057964 -0.887429
C -0.041146 0.870855 -0.946605
C -0.841028 -0.188257 -0.132151
C 4.050171 -1.882088 -1.250871
C 5.014680 -2.388677 -0.180223
C -0.477983 2.279649 -0.553338
C 1.988944 -0.483732 -1.091193
C 4.177880 0.331825 -0.111298
C 7.393204 -1.758554 0.502386
C 5.674555 -0.004944 0.148552
C -0.989679 3.172206 -1.527945
C -0.373452 2.716523 0.791608
C 7.446917 -2.377687 1.915606
C -1.390266 4.476105 -1.177933
C -0.765631 4.020561 1.154104
C -1.274080 4.900250 0.166093
H -2.157287 -2.699612 0.044702
H -3.398774 -1.936375 2.011430
H -3.487036 -0.249789 1.337908
H -2.010706 -0.631727 -1.814695
H -0.245968 0.705933 -2.022762
H 3.242226 -2.604037 -1.447557
H 4.588517 -1.693981 -2.198896
H 5.539073 -3.285067 -0.556526
H 4.460656 -2.677655 0.735664
H 1.966495 1.398261 -0.217938
H 8.020283 -0.852786 0.459471
H 7.767812 -2.478680 -0.250827
H -7.652634 -3.730927 0.433475
H -1.068015 2.851695 -2.573777
H 0.001777 2.027905 1.556845
H 7.107455 -1.649082 2.671669
H 6.818233 -3.283443 1.993886
H 8.485297 -2.666752 2.158036
H -1.784118 5.174041 -1.921957
H -0.676518 4.348996 2.197548
H -1.557109 6.425791 1.407735


