%chk=000130145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130145

0 1
 S    1.944200     -0.3566000      0.7420000    
 O   -2.404700      -2.728100     -0.6932000    
 O    5.551400     -6.8899997E-02 -0.1450000    
 O  -0.9779000     -0.7304000       1.909500    
 O    1.992000      -1.353900     -0.3756000    
 N   -2.583100       2.369100     -0.2281000    
 N  -0.3433000      -2.956900       2.111400    
 C   -3.510400       3.472200      6.0100000E-02
 C   -1.226300       2.678300      0.2444000    
 C   -3.572600       3.763300       1.560400    
 C   -1.213700       2.943700       1.750500    
 C   -2.187400       4.054800       2.126300    
 C   -2.570800       2.071900      -1.660100    
 C   -2.040500      0.6912000      -1.942000    
 C   -2.473200     -0.3920000      -1.177100    
 C   -1.116500      0.4954000      -2.968400    
 C   -1.982000      -1.671000      -1.438800    
 C  -0.6252000     -0.7835000      -3.230000    
 C   -1.058000      -1.866700      -2.465200    
 C   -1.486400      -3.805500     -0.5148000    
 C   -1.778800      -4.483400      0.8184000    
 C   -1.655200      -3.534100       2.003000    
 C    1.345600      -1.226300       2.216800    
 C  -0.1099000      -1.589200       2.055300    
 C    3.634400     -0.1292000       1.344600    
 C    4.465300      0.5956000      0.3294000    
 C    4.366900       1.838000     -0.2525000    
 C    5.463000       1.943800      -1.141600    
 C    6.153100      0.7583000      -1.039700    
 H   -3.215300       4.381000     -0.4808000    
 H   -4.521200       3.207400     -0.2736000    
 H  -0.5482000       1.839500      5.0500002E-02
 H  -0.8184000       3.551800     -0.2816000    
 H   -4.234400       4.617000       1.744900    
 H   -4.007200       2.902200       2.083900    
 H   -1.483400       2.026400       2.288600    
 H  -0.2013000       3.215300       2.070100    
 H   -2.239600       4.157100       3.215700    
 H   -1.823300       5.010300       1.729300    
 H   -2.014000       2.836500      -2.218100    
 H   -3.593900       2.084500      -2.060700    
 H   -3.201300     -0.2586000     -0.3807000    
 H  -0.7718000       1.329800      -3.573100    
 H   8.9900002E-02 -0.9364000      -4.033000    
 H  -0.6718000      -2.849100      -2.720000    
 H  -0.4427000      -3.466900     -0.5175000    
 H   -1.626700      -4.528500      -1.326700    
 H   -2.799100      -4.885100      0.8064000    
 H   -1.093100      -5.329500      0.9454000    
 H   -1.831900      -4.089800       2.930400    
 H   -2.414200      -2.746500       1.949400    
 H   0.4348000      -3.589400       2.272300    
 H    1.967000      -2.111300       2.380900    
 H    1.440500     -0.5655000       3.083900    
 H    4.066400      -1.110100       1.566900    
 H    3.599600      0.4553000       2.269400    
 H    3.602900       2.578100     -6.1299998E-02
 H    5.718100       2.779400      -1.777000    
 H    7.043600      0.3687000      -1.510800    


%chk=000130145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130145

0 1
S 2.606330 -1.016956 0.390270
O -1.960759 -2.216757 -0.608386
O 6.059553 -1.762910 -0.361790
O -0.702809 -0.186765 2.424621
O 2.510216 -2.696800 0.531345
N -3.406595 2.589691 -0.162657
N 0.188875 -2.325266 2.004938
C -4.503663 3.562227 0.053367
C -2.266107 2.827058 0.760226
C -5.024757 3.489783 1.503626
C -2.715401 2.739491 2.231498
C -3.875208 3.720860 2.512156
C -2.991360 2.496335 -1.578251
C -2.183296 1.236231 -1.885808
C -2.411579 0.054449 -1.152274
C -1.208818 1.235830 -2.918714
C -1.665995 -1.114539 -1.428804
C -0.483614 0.059278 -3.205144
C -0.698439 -1.127125 -2.464727
C -0.992859 -3.326136 -0.543922
C -1.210127 -4.021088 0.806427
C -1.093457 -3.051029 2.007129
C 1.685778 -0.390776 2.014943
C 0.267284 -0.962167 2.151676
C 4.463663 -0.592171 1.092745
C 5.464417 -0.537216 0.026602
C 5.976669 0.486774 -0.768360
C 6.925698 -0.108305 -1.679660
C 6.947835 -1.467131 -1.404354
H -4.166628 4.613457 -0.159670
H -5.321234 3.330230 -0.656210
H -1.492476 2.063645 0.567787
H -1.808653 3.835787 0.566998
H -5.828301 4.239052 1.644216
H -5.464125 2.487150 1.670283
H -3.030567 1.700653 2.440771
H -1.850367 2.950560 2.888384
H -4.242630 3.604340 3.549737
H -3.507894 4.764517 2.414127
H -2.402944 3.392178 -1.910388
H -3.915510 2.487699 -2.192497
H -3.139703 0.057789 -0.335881
H -1.017320 2.153057 -3.488832
H 0.263147 0.059582 -4.007787
H -0.127283 -2.030834 -2.698513
H 0.042512 -2.938343 -0.614089
H -1.170607 -4.027450 -1.383989
H -2.216040 -4.479849 0.836332
H -0.470229 -4.841956 0.893388
H -1.204004 -3.620943 2.950932
H -1.898253 -2.299179 1.966252
H 1.047635 -2.803215 1.655130
H 2.337771 -0.712408 2.845940
H 1.638343 0.705219 1.937316
H 4.603861 -1.421520 1.803452
H 4.332834 0.378568 1.594037
H 5.706874 1.539558 -0.705301
H 7.515843 0.404326 -2.436200
H 7.494476 -2.313041 -1.811342


