%chk=000146011.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146011

0 1
 S    3.196500      5.5799998E-02  0.3759000    
 O    2.137900     -0.1236000     -0.8679000    
 O    4.598100      0.4579000     -0.3578000    
 O    2.781300       1.181600       1.192300    
 O    3.384600      -1.249000      0.9835000    
 N   0.4002000       2.017400     -0.5682000    
 C   -1.429900      0.4354000     -0.1412000    
 C   -1.869700     -0.9034000     -1.0500000E-02
 C  -7.9200000E-02  0.6895000     -0.4297000    
 C   0.8250000     -0.3613000     -0.5868000    
 C  -0.9458000      -1.948700     -0.1721000    
 C   -2.353800       1.480700      2.0500001E-02
 C   0.3925000      -1.677900     -0.4583000    
 C   -3.220500      -1.157500      0.2780000    
 C   -3.692100       1.209900      0.3069000    
 C   -4.124700     -0.1066000      0.4354000    
 H   -1.261800      -2.985400     -7.6700002E-02
 H    1.090200      -2.501800     -0.5821000    
 H   -2.079900       2.527200     -6.7000002E-02
 H   -3.580800      -2.178800      0.3829000    
 H   -4.397200       2.027000      0.4297000    
 H   -5.166700     -0.3168000      0.6584000    
 H    1.377400       2.162300     -0.7887000    
 H  -0.1968000       2.823500     -0.4685000    
 H    4.840400     -9.7300000E-02  -1.135700    


%chk=000146011-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146011

0 1
S 4.203121 0.298203 0.008312
O 1.896214 -1.416374 0.723905
O 3.124026 0.409312 -1.544257
O 3.289456 1.428412 1.047014
O 5.540884 1.130395 -0.322330
N 0.742012 1.029993 1.172694
C -1.443796 0.246507 0.246523
C -2.107676 -0.849079 -0.396600
C -0.009495 0.102417 0.621632
C 0.696837 -1.238481 0.355137
C -1.387709 -2.094611 -0.671655
C -2.170335 1.437174 0.499710
C -0.074863 -2.285965 -0.324642
C -3.470660 -0.719304 -0.768156
C -3.525749 1.554105 0.127023
C -4.178890 0.472238 -0.510315
H -1.943076 -2.895984 -1.174584
H 0.453731 -3.221267 -0.531326
H -1.689294 2.289678 0.994088
H -3.971656 -1.559865 -1.261498
H -4.070014 2.481328 0.331600
H -5.230356 0.560840 -0.801581
H 2.283308 1.094333 1.175717
H 0.282377 1.942008 1.352387
H 3.386802 1.264085 -1.996499


