%chk=000170917.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170917

0 1
 S   0.1074000       1.868900      0.2318000    
 S    2.713900      0.4747000     -5.6699999E-02
 O    3.089700     -3.5000001E-03  -1.404700    
 O    3.150600     -0.4319000       1.028200    
 O    3.023900       1.897600      0.1887000    
 N   0.1757000     -0.6001000     -0.2031000    
 C   -1.166300     -0.3025000     -0.1286000    
 C   0.6774000      -1.933000     -0.4474000    
 C   0.9824000      0.4249000     -3.6300000E-02
 C   -1.405600       1.044800      0.1119000    
 C   -2.227000      -1.208500     -0.2705000    
 C   0.8915000      -2.689000      0.8501000    
 C   -2.712300       1.540900      0.2205000    
 C   -3.532000     -0.7180000     -0.1628000    
 C   -3.769400      0.6348000      7.8800000E-02
 H  -8.6000003E-03  -2.486700      -1.097300    
 H    1.613200      -1.902900      -1.010700    
 H   -2.077200      -2.267800     -0.4503000    
 H    1.518600      -2.147700       1.559600    
 H    1.355800      -3.659800      0.6511000    
 H  -6.6200003E-02  -2.873000       1.348400    
 H   -2.905300       2.592100      0.4084000    
 H   -4.371400      -1.400600     -0.2669000    
 H   -4.792600      0.9931000      0.1590000    


%chk=000170917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170917

0 1
S 0.063731 2.008391 0.209574
S 3.027064 0.482776 -0.018665
O 3.374186 -0.354756 -1.375125
O 3.192820 -0.330925 1.385129
O 3.299278 2.081875 -0.008744
N 0.159772 -0.568075 -0.264639
C -1.238733 -0.307405 -0.146979
C 0.716255 -1.943723 -0.500585
C 0.957263 0.505826 -0.101980
C -1.499383 1.066804 0.108562
C -2.297592 -1.234952 -0.264918
C 0.849729 -2.733318 0.814869
C -2.814699 1.548408 0.248140
C -3.613639 -0.753663 -0.123814
C -3.872026 0.620662 0.129264
H 0.045019 -2.440972 -1.222575
H 1.701082 -1.806839 -0.982183
H -2.106012 -2.294496 -0.455744
H 1.561497 -2.223479 1.485759
H 1.251955 -3.736083 0.587229
H -0.119300 -2.858853 1.329990
H -3.015406 2.605760 0.443292
H -4.451590 -1.452470 -0.209432
H -4.905070 0.966306 0.234776


