%chk=000132770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132770

0 1
 S   -1.433400      -2.197300       1.084200    
 O   -3.466600       1.874600      0.5878000    
 O  -0.2234000       1.429300      -1.030800    
 O   -1.497700       3.961900      -1.366100    
 O   -2.239800      -3.199400      0.4141000    
 O   -1.018700      -2.394700       2.460000    
 O   -4.783900     -0.9027000      0.2234000    
 O   0.8587000       3.614800       1.408700    
 N   -2.189300     -0.6832000      0.9542000    
 N    4.443800      1.4300000E-02 -0.6216000    
 C   -2.533800       1.379200     -0.3691000    
 C   -2.566700     -0.1595000     -0.3825000    
 C   -1.136200       1.956100     -6.2600002E-02
 C   -1.022300       3.494300     -0.1018000    
 C   -3.946500     -0.7320000     -0.6631000    
 C   3.6499999E-02  -1.954900      0.1327000    
 C    1.080700      -1.128400      0.5610000    
 C   0.3947000       4.017000      0.1220000    
 C    2.224300     -0.9886000     -0.2609000    
 C   0.1019000      -2.636500      -1.077700    
 C   -4.254100      -1.087400      -2.094800    
 C    3.277000     -0.1610000      0.1623000    
 C    1.023600     -0.4366000       1.781900    
 C    2.281500      -1.680800      -1.481500    
 C    1.226500      -2.499100      -1.886000    
 C    3.203400      0.5191000       1.378200    
 C    2.078800      0.3814000       2.186500    
 C    4.504700       1.068300      -1.610300    
 C    5.576400     -0.8681000     -0.4482000    
 H   -2.872700       1.719200      -1.354400    
 H   -1.882600     -0.5381000      -1.146300    
 H  -0.8068000       1.622700      0.9260000    
 H   -1.672900       3.914100      0.6753000    
 H   -2.234900     -5.3100001E-02   1.762200    
 H   0.4072000       5.111100      6.9399998E-02
 H    1.086400       3.646300     -0.6419000    
 H   -3.116700       1.698400       1.476700    
 H  -0.5023000       1.751000      -1.905200    
 H  -0.6990000      -3.278100      -1.431300    
 H   -4.141500     -0.2020000      -2.725000    
 H   -3.576900      -1.877600      -2.428500    
 H   -5.283900      -1.447000      -2.172800    
 H   0.1716000     -0.4521000       2.448800    
 H    3.138200      -1.602000      -2.146100    
 H   -2.465600       3.872100      -1.369300    
 H    1.282600      -3.027400      -2.833400    
 H    4.016400       1.162600       1.704900    
 H    2.018300      0.9204000       3.127600    
 H    1.762500       3.960300       1.505400    
 H    5.317900      0.9070000      -2.325800    
 H    4.669700       2.035000      -1.123100    
 H    3.573900       1.128100      -2.185000    
 H    5.352300      -1.866800     -0.8369000    
 H    5.839200     -0.9618000      0.6113000    
 H    6.464600     -0.4965000     -0.9703000    


%chk=000132770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132770

0 1
S -1.407664 -2.609645 0.374225
O -2.031330 1.563203 1.333665
O -1.502622 1.569431 -2.366334
O -1.082338 3.772006 -0.110078
O -2.237737 -3.193805 -0.905790
O -1.286949 -3.471198 1.744757
O -4.902828 -0.730349 1.112360
O 1.296562 2.095162 -2.407722
N -2.215411 -0.999368 0.946287
N 4.479571 0.515401 0.032109
C -2.318691 1.236792 -0.063211
C -2.877783 -0.232127 -0.137052
C -1.061875 1.430432 -0.954621
C -0.217780 2.641180 -0.483010
C -4.410857 -0.265390 0.050697
C 0.254961 -2.004000 -0.295203
C 1.200897 -1.345693 0.557766
C 0.710685 3.172641 -1.601070
C 2.398744 -0.842461 -0.106071
C 0.453006 -2.283603 -1.643828
C -5.265797 0.241583 -1.093246
C 3.369223 -0.076228 0.667532
C 1.046874 -1.195112 1.971604
C 2.623884 -1.176831 -1.478779
C 1.687028 -1.888003 -2.234063
C 3.193860 0.006897 2.067283
C 2.055286 -0.558321 2.701639
C 4.313707 1.394176 -1.151774
C 5.672678 0.828987 0.832564
H -3.087497 1.959459 -0.391111
H -2.653899 -0.649877 -1.139982
H -0.434027 0.524731 -0.961100
H 0.375290 2.305042 0.390316
H -2.942284 -1.317071 1.632336
H 1.560740 3.717113 -1.161641
H 0.133888 3.881048 -2.230104
H -1.695087 0.698545 1.729097
H -1.949067 2.452255 -2.456961
H -0.320724 -2.807117 -2.214642
H -4.719092 0.926276 -1.762298
H -5.579470 -0.632932 -1.696588
H -6.178173 0.725534 -0.708945
H 0.175432 -1.619085 2.476853
H 3.574200 -0.892605 -1.936677
H -1.498579 3.524847 0.761186
H 1.893481 -2.145035 -3.277097
H 3.921114 0.551821 2.675737
H 1.955973 -0.464729 3.788788
H 0.540859 1.659786 -2.889902
H 5.021970 1.118223 -1.957245
H 4.522008 2.448116 -0.866252
H 3.287207 1.361041 -1.549819
H 5.900261 0.001879 1.525640
H 5.570070 1.769567 1.420743
H 6.533202 0.953308 0.151330


