%chk=000072712.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072712

0 1
 S    4.291200      0.9206000      3.5000001E-03
 O   0.8248000      -1.799400     -0.3214000    
 O    3.648100       4.181300      -1.153700    
 N   -4.612300     -0.2523000     -0.1969000    
 N  -0.9139000     -1.9300001E-02 -0.1237000    
 C   -5.592700      -1.348400     -0.3748000    
 C   -7.029100     -0.7871000     -0.3748000    
 C   -4.864100      0.4897000       1.051200    
 C   -7.325200      1.8500000E-02  0.8834000    
 C   -6.266700       1.092500       1.079700    
 C   -3.227100     -0.7318000     -0.1997000    
 C   -5.382700      -2.123900      -1.683100    
 C   -2.261800      0.4481000     -0.1385000    
 C   0.1979000      0.8544000     -3.7200000E-02
 C    1.532600      0.4117000     -4.1499998E-02
 C    2.570900       1.344400      2.4100000E-02
 C  -0.1010000       2.214300      3.3599999E-02
 C    2.254100       2.712000      9.3199998E-02
 C    1.775000      -1.048300     -0.1173000    
 C   0.9281000       3.144300      9.9200003E-02
 C    3.126400      -1.631100      5.6400001E-02
 C    4.280400     -0.8468000      0.1292000    
 C    3.305300       3.779200      0.1639000    
 C    3.228800      -3.030400      0.1488000    
 C    5.524400      -1.479700      0.2944000    
 C    4.469600      -3.644200      0.3142000    
 C    5.618900      -2.868100      0.3875000    
 H   -5.501500      -2.060300      0.4576000    
 H   -7.752900      -1.607800     -0.4498000    
 H   -7.180900     -0.1492000      -1.255700    
 H   -4.212500       1.357800       1.164700    
 H   -4.718800     -0.1551000       1.927900    
 H   -7.339200     -0.6496000       1.753300    
 H   -8.317800      0.4764000      0.8122000    
 H   -6.360800       1.849900      0.2910000    
 H   -6.432800       1.603500       2.035000    
 H   -3.044300      -1.424900      0.6324000    
 H   -3.003100      -1.275700      -1.123700    
 H   -6.213800      -2.816000      -1.860400    
 H   -5.323600      -1.448000      -2.543400    
 H   -4.473000      -2.731500      -1.656000    
 H   -2.441200       1.103900     -0.9997000    
 H   -2.398600       1.013400      0.7845000    
 H  -0.7424000      -1.016100     -0.1154000    
 H   -1.109700       2.613500      3.4000002E-02
 H   0.6834000       4.202200      0.1486000    
 H    2.915800       4.658300      0.6925000    
 H    4.204300       3.487100      0.7135000    
 H    2.347800      -3.665700      9.7999997E-02
 H    6.442100     -0.8970000      0.3516000    
 H    4.536400      -4.725700      0.3858000    
 H    6.588500      -3.339900      0.5154000    
 H    4.305300       4.893400      -1.073700    


%chk=000072712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072712

0 1
S 4.337091 0.952371 -0.216171
O 0.744035 -1.820766 0.132491
O 4.171710 3.744344 -1.541678
N -4.670285 -0.326095 0.051463
N -0.925565 0.099026 -0.071804
C -5.659803 -1.229979 -0.621972
C -7.075767 -0.605991 -0.506626
C -5.025332 -0.090855 1.479278
C -7.482074 -0.306955 0.951502
C -6.406750 0.570311 1.625571
C -3.247707 -0.726151 -0.075079
C -5.324729 -1.459157 -2.111405
C -2.329714 0.516675 -0.100689
C 0.136716 0.966126 -0.120804
C 1.514285 0.459328 -0.068616
C 2.575230 1.424166 -0.147642
C -0.084945 2.374272 -0.218508
C 2.338538 2.821105 -0.221779
C 1.739272 -0.985601 0.098323
C 0.992384 3.261867 -0.257223
C 3.104237 -1.559550 0.275269
C 4.305181 -0.811144 0.185637
C 3.459167 3.830766 -0.240879
C 3.202786 -2.955586 0.547378
C 5.568164 -1.434766 0.353778
C 4.447371 -3.579786 0.720473
C 5.638584 -2.813520 0.622058
H -5.684610 -2.225895 -0.101628
H -7.803353 -1.297530 -0.974272
H -7.083571 0.333977 -1.094161
H -4.250290 0.554678 1.931571
H -5.019227 -1.056935 2.051101
H -7.581890 -1.259747 1.511959
H -8.470639 0.189513 0.981315
H -6.380739 1.567479 1.145449
H -6.633866 0.717560 2.699153
H -2.927941 -1.402546 0.756858
H -3.096189 -1.282163 -1.014079
H -6.186314 -1.936681 -2.612417
H -5.127762 -0.491541 -2.608365
H -4.453719 -2.118667 -2.269268
H -2.554825 1.101125 -1.015430
H -2.558342 1.173519 0.764530
H -0.648501 -0.904281 0.006457
H -1.106824 2.757478 -0.259247
H 0.798929 4.339306 -0.325272
H 3.037954 4.848335 -0.117417
H 4.170497 3.637222 0.591261
H 2.263998 -3.513938 0.609309
H 6.484639 -0.839336 0.276298
H 4.500328 -4.653267 0.929288
H 6.615767 -3.290431 0.755240
H 5.111012 4.035409 -1.420678


