%chk=000083571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083571

0 1
 S   -6.494000      5.4299999E-02 -3.0200001E-02
 O   -6.878100     -0.6288000       1.404800    
 O   -6.879400       1.455800      5.0500002E-02
 O   -7.012900     -0.7977000      -1.089000    
 N    5.563300     -8.6199999E-02 -9.2299998E-02
 N   2.5699999E-02  0.4001000      0.5745000    
 N  -0.5739000     -0.2059000     -0.3443000    
 C    6.282800      -1.183200      0.5239000    
 C    6.297500      0.8907000     -0.8715000    
 C    4.168200      3.6400001E-02  7.5400002E-02
 C    3.486200       1.103100     -0.5103000    
 C    3.470400     -0.9090000      0.8271000    
 C    6.313200      -2.377900     -0.4099000    
 C    6.752600       2.032200      1.7200001E-02
 C    2.106600       1.224500     -0.3442000    
 C    2.090700     -0.7876000      0.9931000    
 C    1.408900      0.2791000      0.4074000    
 C   -4.752300     -2.1700000E-02 -0.1229000    
 C   -1.932800     -0.1458000     -0.2725000    
 C   -3.980400       1.028300      0.3747000    
 C   -4.132500      -1.133200     -0.6942000    
 C   -2.588800      0.9670000      0.3006000    
 C   -2.740900      -1.194400     -0.7681000    
 H    5.920400      -1.447600       1.522500    
 H    7.322900     -0.8763000      0.6981000    
 H    5.764300       1.244700      -1.759400    
 H    7.198200      0.4151000      -1.282600    
 H    3.968500       1.881300      -1.090500    
 H    3.934800      -1.770200       1.293600    
 H    5.308100      -2.760500     -0.6131000    
 H    6.770500      -2.120200      -1.371200    
 H    6.898500      -3.189500      3.3900000E-02
 H    5.904700       2.574400      0.4472000    
 H    7.369900       1.670400      0.8464000    
 H    7.349800       2.745200     -0.5600000    
 H    1.583800       2.061500     -0.8002000    
 H    1.554400      -1.530600       1.577900    
 H   -4.441700       1.901500      0.8274000    
 H   -4.712200      -1.966500      -1.081000    
 H   -2.022900       1.811900      0.6882000    
 H   -2.271900      -2.068700      -1.214700    
 H   -6.520300     -0.1697000       2.200800    


%chk=000083571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083571

0 1
S -6.695006 0.263005 0.386970
O -7.002226 -1.464721 -0.242735
O -7.075494 0.296057 1.960550
O -7.382618 1.307040 -0.642339
N 5.706338 -0.121833 -0.091092
N 0.067675 -0.167586 0.528224
N -0.685713 0.298876 -0.450584
C 6.592877 -0.546586 1.015867
C 6.376503 0.317927 -1.336339
C 4.321260 -0.127971 0.036488
C 3.472981 0.383993 -1.011916
C 3.678299 -0.641270 1.215617
C 6.857675 -2.069813 1.039519
C 6.602865 1.846018 -1.404150
C 2.083937 0.381926 -0.888346
C 2.285118 -0.631555 1.333389
C 1.455453 -0.124584 0.292155
C -4.845831 0.241687 0.156722
C -2.086182 0.244758 -0.170514
C -4.052030 -0.237091 1.217322
C -4.329039 0.721388 -1.058918
C -2.657368 -0.231288 1.048201
C -2.929409 0.722469 -1.212067
H 6.165176 -0.213647 1.978785
H 7.550976 -0.006387 0.901706
H 5.795194 -0.026670 -2.210471
H 7.350738 -0.202119 -1.390954
H 3.916085 0.799235 -1.921193
H 4.270625 -1.060433 2.032538
H 5.918825 -2.636813 1.162267
H 7.333074 -2.401804 0.099042
H 7.533011 -2.329741 1.875198
H 5.645613 2.393513 -1.361007
H 7.227877 2.189559 -0.560298
H 7.116967 2.117383 -2.344375
H 1.448380 0.776687 -1.687086
H 1.797819 -1.024553 2.232068
H -4.517933 -0.584468 2.144867
H -4.996561 1.092170 -1.842485
H -1.987777 -0.588252 1.835416
H -2.461454 1.086079 -2.131821
H -7.986799 -1.634284 -0.171124


