%chk=000134290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134290

0 1
 S   -5.547800      7.5599998E-02  0.1192000    
 S   -4.551200      -1.425500      -2.258100    
 O  -0.4325000       1.508700       1.391500    
 O   -3.741000       3.669700     -0.2198000    
 O   -3.482600       2.381500       1.642900    
 O    1.444300      -2.746900      -1.117900    
 O    1.686800      -3.319000       1.062200    
 N   -2.163300      0.4582000      0.2672000    
 N   0.8575000     -0.7830000       1.755700    
 C   -4.087800     -0.2319000     -0.9579000    
 C   -3.540700       1.074500      -1.559500    
 C   -2.605100       1.628500     -0.4818000    
 C   -2.910100     -0.7419000     -0.1209000    
 C   -1.040300      0.4823000       1.082100    
 C   -6.751500     -0.8778000     -0.8405000    
 C   -6.030800      -2.065200      -1.440300    
 C   -3.311400       2.571100      0.4478000    
 C  -0.5857000     -0.8570000       1.605500    
 C    1.528500     -0.9615000      0.4737000    
 C   -1.257700      -1.149700       2.931800    
 C    2.943500     -0.3721000      0.5569000    
 C    3.754500     -0.4768000     -0.7442000    
 C    1.572500      -2.454900      0.2015000    
 C    5.116500      0.1704000     -0.6865000    
 C    5.267200       1.510900      -1.041500    
 C    6.224700     -0.5717000     -0.2777000    
 C    6.526100       2.109300     -0.9881000    
 C    7.483500      2.6900001E-02 -0.2241000    
 C    7.634000       1.367400     -0.5793000    
 H   -2.928500      0.8554000      -2.445500    
 H   -4.324500       1.771800      -1.875600    
 H   -1.733700       2.144200     -0.9006000    
 H   -2.222700      -1.345500     -0.7270000    
 H   -3.199300      -1.329300      0.7551000    
 H   -7.567300      -1.203900     -0.1884000    
 H   -7.182400     -0.2346000      -1.615900    
 H   -6.663900      -2.581400      -2.167900    
 H   -5.738900      -2.791900     -0.6741000    
 H  -0.8445000      -1.672200      0.9253000    
 H    1.195900      -1.467500       2.431000    
 H   0.9863000     -0.4605000     -0.3376000    
 H  -0.9511000      -2.126700       3.321700    
 H   -2.348500      -1.153000       2.843600    
 H   -1.004300     -0.3936000       3.684800    
 H    2.872700      0.6861000      0.8439000    
 H    3.507800     -0.8698000       1.358100    
 H   -4.208000       4.298200      0.3710000    
 H    3.182200     -2.8200001E-02  -1.566800    
 H    3.884600      -1.530400      -1.021000    
 H    4.410900       2.099800      -1.359400    
 H    6.119500      -1.616100      3.5999999E-03
 H    1.463400      -3.713800      -1.282100    
 H    6.643300       3.153200      -1.264000    
 H    8.346300     -0.5505000      9.4800003E-02
 H    8.614200       1.833400     -0.5373000    


%chk=000134290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134290

0 1
S -5.776830 -0.291792 0.632741
S -5.060051 -2.249751 -1.651107
O -0.505213 1.617299 0.235718
O -4.245879 3.335148 -0.600960
O -3.601539 2.339238 1.400304
O 1.669743 -1.893294 -1.922224
O 1.284318 -3.034309 0.060778
N -2.328950 0.225352 -0.022489
N 1.019012 -0.477743 1.417597
C -4.434238 -0.739595 -0.645473
C -4.108720 0.453298 -1.576381
C -3.046933 1.261591 -0.786194
C -3.092526 -1.046522 0.076729
C -1.068152 0.509255 0.491099
C -7.188628 -0.907429 -0.456499
C -6.813914 -2.310978 -0.939347
C -3.642309 2.321765 0.156604
C -0.448969 -0.581193 1.395411
C 1.744741 -0.584771 0.148054
C -0.980455 -0.383862 2.838484
C 3.257878 -0.317908 0.400072
C 4.094524 -0.056145 -0.880333
C 1.545813 -1.957362 -0.524066
C 5.544899 0.261128 -0.542430
C 5.920049 1.561754 -0.114640
C 6.546522 -0.741100 -0.609933
C 7.257025 1.853231 0.236201
C 7.886089 -0.455463 -0.258975
C 8.246187 0.844023 0.166241
H -3.649817 0.076121 -2.508706
H -4.997687 1.046200 -1.836933
H -2.349832 1.796500 -1.454621
H -2.561093 -1.866599 -0.442096
H -3.265537 -1.356308 1.121433
H -8.090701 -0.918161 0.179210
H -7.335428 -0.210138 -1.297761
H -7.471628 -2.646728 -1.759590
H -6.833060 -3.038248 -0.113151
H -0.790102 -1.579191 1.026014
H 1.424060 -1.072366 2.152220
H 1.369793 0.193533 -0.539660
H -0.580034 -1.172016 3.503066
H -2.082169 -0.424752 2.880139
H -0.655949 0.600607 3.214312
H 3.294020 0.574702 1.051700
H 3.699681 -1.158981 0.972252
H -4.607082 4.031222 0.011493
H 3.636185 0.790443 -1.427698
H 4.042960 -0.932103 -1.551828
H 5.158929 2.350863 -0.062687
H 6.274326 -1.750691 -0.943193
H 1.546666 -2.805661 -2.305202
H 7.528655 2.864658 0.559839
H 8.646715 -1.242422 -0.320154
H 9.284238 1.068947 0.436217


