%chk=000174417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174417

0 1
 S    2.168700      0.3401000      8.4500000E-02
 O    2.666300     -0.1548000      -1.390800    
 O    2.507300       1.749700      0.1991000    
 O    2.637400     -0.6214000       1.068200    
 N   -2.265700      -2.350700     -4.1700002E-02
 N   -2.494200       2.493900     -7.1999999E-03
 C   0.4231000      0.2102000      4.3200001E-02
 C  -0.2115000      -1.031700      1.8400000E-02
 C   -1.604100      -1.103000     -1.5000000E-02
 C  -0.3350000       1.381000      3.4899998E-02
 C   -1.727600       1.309900      1.7000000E-03
 C   -2.362300      6.7900002E-02 -2.3399999E-02
 C   0.5976000      -2.291200      2.8100001E-02
 H   0.1387000       2.358900      5.1300000E-02
 H   -3.448700      1.4000000E-02 -4.9699999E-02
 H    1.533000      -2.209100     -0.5292000    
 H   0.8089000      -2.600000       1.056700    
 H   9.0099998E-02  -3.117800     -0.4785000    
 H   -3.277700      -2.366300     -6.0800001E-02
 H   -1.777800      -3.213800      0.1470000    
 H   -2.035100       3.394700      1.2200000E-02
 H   -3.504000       2.442900     -2.9899999E-02
 H    2.341000      0.3842000      -2.149800    


%chk=000174417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174417

0 1
S 2.167395 0.499995 -0.016305
O 2.457102 -0.144589 -1.743144
O 2.492853 2.084998 0.011923
O 2.985635 -0.467763 0.994930
N -2.310339 -2.357134 0.063048
N -2.605985 2.515351 0.059540
C 0.297852 0.231407 0.001414
C -0.233575 -1.069905 0.022366
C -1.672897 -1.116993 0.051997
C -0.416673 1.437477 0.009241
C -1.836444 1.353509 0.045954
C -2.445473 0.072896 0.065356
C 0.559907 -2.360882 -0.006435
H 0.108694 2.396927 -0.010240
H -3.540237 -0.001845 0.089230
H 1.644680 -2.189679 0.037322
H 0.304411 -3.001520 0.861665
H 0.348715 -2.933477 -0.931467
H -3.323788 -2.417013 0.082692
H -1.776660 -3.219869 0.043477
H -2.164182 3.429450 0.043257
H -3.619886 2.470623 0.087286
H 3.447294 -0.124365 -1.893806


