%chk=000135947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135947

0 1
 S    4.038700      0.2876000      0.6949000    
 S   -5.047100       1.889700      0.5324000    
 O  -0.1715000      -1.827300      6.0600001E-02
 O    1.699900       4.497100     -0.1984000    
 O    3.163700      0.5017000       2.054600    
 O  -0.3443000       3.859200     -0.9486000    
 O    4.954600       1.407400      0.5785000    
 O    4.549700      -1.070800      0.7154000    
 O  -0.2026000      0.6310000       1.946800    
 O    1.688100      -4.797100     -0.6573000    
 O    2.271000      -2.774800      0.1727000    
 N    2.885300      0.3803000     -0.5672000    
 N   6.7900002E-02   1.296400     -0.2900000    
 N   -1.518700      -1.447100     -1.3800000E-02
 N   -4.115500     -0.4459000     -6.7699999E-02
 N   -6.454200     -0.2014000     -0.3156000    
 C    2.422000       1.734300     -0.9740000    
 C    1.209800       2.162800     -0.1388000    
 C    2.125200       1.721900      -2.469800    
 C   0.7532000       3.567200     -0.4914000    
 C  -0.5117000      0.6274000      0.7662000    
 C  -7.3700003E-02  -3.184700     -0.3421000    
 C   -1.690900     -0.2096000      0.3416000    
 C  -0.5682000      -3.287300      -1.782100    
 C  -0.9091000      -4.024500      0.6195000    
 C   -3.050200      0.3407000      0.3253000    
 C    1.404700      -3.536600     -0.2406000    
 C   -3.358100       1.635500      0.6869000    
 C   -5.218000      0.2667000      2.0000001E-03
 H    3.235000       2.455200     -0.8321000    
 H    1.478800       2.185400      0.9236000    
 H    3.024300       1.443100      -3.031600    
 H    1.805100       2.704300      -2.830300    
 H    1.351900      0.9903000      -2.727500    
 H    2.155600     -0.3440000     -0.5938000    
 H  -0.3500000       1.209200      -1.212100    
 H   -1.635800      -3.062200      -1.880300    
 H  -3.2400001E-02  -2.581200      -2.427700    
 H  -0.4114000      -4.293100      -2.186900    
 H   -1.982000      -3.817700      0.5399000    
 H  -0.6214000      -3.827000       1.659000    
 H  -0.7700000      -5.095300      0.4342000    
 H    1.396900       5.405900     -0.4097000    
 H    3.684300      0.5284000       2.891500    
 H   -2.704900       2.427800       1.024600    
 H    2.644900      -5.000500     -0.5828000    
 H   -6.599500      -1.154300     -0.6325000    
 H   -7.280900      0.3828000     -0.2470000    


%chk=000135947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135947

0 1
S 4.129709 0.254525 1.281549
S -5.586155 1.729927 0.987506
O -0.337851 -1.452759 -0.511020
O 1.767211 4.387282 -0.162832
O 2.701379 0.571292 2.459422
O 0.241079 3.567898 -1.714366
O 5.086283 1.550342 1.376680
O 4.681762 -1.237523 1.527717
O -1.086371 2.325162 0.901778
O 1.593293 -4.419249 -1.257926
O 2.135321 -2.187425 -1.067505
N 3.270568 0.273670 -0.221528
N 0.372555 1.025827 -0.320612
N -1.731626 -1.128191 -0.212436
N -4.313824 -0.497349 0.176324
N -6.686314 -0.775026 0.322889
C 2.779114 1.528087 -0.811907
C 1.433326 2.016298 -0.158073
C 2.681179 1.301654 -2.337711
C 1.032359 3.363862 -0.773332
C -0.851604 1.244395 0.268979
C -0.227282 -2.926053 -0.748134
C -1.910163 0.150726 0.118591
C -1.067716 -3.332836 -1.977983
C -0.627681 -3.696119 0.528547
C -3.325101 0.495166 0.383577
C 1.271364 -3.091123 -1.030990
C -3.798511 1.732443 0.812062
C -5.524660 -0.048546 0.434068
H 3.526585 2.314735 -0.601378
H 1.617796 2.193315 0.918313
H 3.679330 1.067638 -2.741598
H 2.292519 2.204913 -2.836670
H 2.003354 0.465343 -2.584645
H 2.879983 -0.646304 -0.500664
H 0.567935 0.096120 -0.710854
H -2.123919 -3.099814 -1.766358
H -0.756925 -2.770520 -2.875452
H -0.956359 -4.411784 -2.174300
H -1.686281 -3.480594 0.746530
H -0.017693 -3.375351 1.390265
H -0.493170 -4.779456 0.376742
H 1.519711 5.260937 -0.569845
H 3.088796 0.803965 3.352531
H -3.213071 2.615315 1.050204
H 2.572114 -4.512057 -1.417529
H -6.619913 -1.742255 0.014365
H -7.593937 -0.373603 0.535513


