%chk=000156850.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156850

0 1
 S    3.769900     -0.5753000      -1.147600    
 O    3.531200      0.1697000      -2.371400    
 O    4.488500      -1.837100      -1.187300    
 N   -3.803700       2.750400     -0.8772000    
 N   -3.684300      -2.711400       1.241200    
 C   -3.788000       1.532300     -5.5399999E-02
 C   -4.924500       1.781200      0.9386000    
 C   -5.067900       3.297300       1.015200    
 C   -4.007300       3.845100      7.5000003E-02
 C   -4.009300      0.2574000     -0.8594000    
 C   -3.601800     -0.9679000     -8.5699998E-02
 C   -2.584500       2.938600      -1.654200    
 C   -2.321600      -1.549900     -8.9500003E-02
 C   -4.425200      -1.681300      0.7273000    
 C   -2.395800      -2.656200      0.7596000    
 C   -1.096200      -1.262000     -0.7227000    
 C   6.8999999E-03  -2.089600     -0.4835000    
 C   -1.301400      -3.492200       1.008100    
 C    1.308600      -1.790500      -1.149700    
 C  -9.6299998E-02  -3.186900      0.3691000    
 C    2.222300     -0.8613000     -0.3469000    
 C    4.628900      0.5063000     -4.4199999E-02
 C    5.428300     -3.6100000E-02  0.9469000    
 C    4.484800       1.874800     -0.1910000    
 C    6.105000      0.8172000       1.818700    
 C    5.161500       2.728100      0.6805000    
 C    5.971700       2.199100       1.685400    
 H   -2.842000       1.478600      0.5036000    
 H   -4.688100       1.360000       1.922000    
 H   -5.875700       1.344800      0.6113000    
 H   -6.070100       3.591400      0.6816000    
 H   -4.932100       3.667900       2.036200    
 H   -4.342600       4.763000     -0.4182000    
 H   -3.092200       4.066800      0.6394000    
 H   -3.423400      0.2712000      -1.786100    
 H   -5.055400      0.1663000      -1.180100    
 H   -2.625200       3.889600      -2.197400    
 H   -2.469400       2.157100      -2.411000    
 H   -1.686000       2.944100      -1.026500    
 H   -5.465700      -1.563900      0.9958000    
 H   -1.010200     -0.4046000      -1.385000    
 H   -4.032200      -3.411600       1.881700    
 H    1.833000      -2.732500      -1.358600    
 H    1.120600      -1.354200      -2.139800    
 H   -1.380700      -4.346300       1.672300    
 H   0.7667000      -3.823400      0.5515000    
 H    2.436600      -1.293400      0.6367000    
 H    1.741100      0.1116000     -0.1983000    
 H    5.538500      -1.108900       1.071000    
 H    3.852600       2.305700     -0.9611000    
 H    6.734300      0.4055000       2.602400    
 H    5.056200       3.804200      0.5784000    
 H    6.497800       2.863400       2.364700    


%chk=000156850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156850

0 1
S 3.749225 -0.355868 -1.139531
O 3.336752 0.717041 -2.310289
O 4.543213 -1.751704 -1.476457
N -3.989017 2.696519 -1.099963
N -3.742040 -2.850845 1.352186
C -3.649359 1.560335 -0.189282
C -4.230332 1.975395 1.200380
C -5.052574 3.266291 0.924979
C -4.307782 3.884064 -0.273997
C -4.235577 0.227834 -0.746318
C -3.774042 -1.002210 -0.005527
C -3.047285 2.928791 -2.202318
C -2.438381 -1.581431 -0.027212
C -4.533815 -1.806214 0.844673
C -2.449282 -2.738261 0.831479
C -1.237334 -1.241678 -0.703503
C -0.084174 -2.034962 -0.524480
C -1.304768 -3.543389 1.021929
C 1.226895 -1.663034 -1.210775
C -0.129865 -3.176312 0.338728
C 2.097690 -0.855363 -0.237148
C 4.768026 0.581183 0.164411
C 5.679502 -0.153635 0.939524
C 4.606782 1.973412 0.250449
C 6.455300 0.556558 1.885936
C 5.390863 2.665979 1.203149
C 6.304820 1.957688 2.019665
H -2.541279 1.442119 -0.105823
H -3.408546 2.192817 1.906626
H -4.836855 1.167168 1.645297
H -6.086587 3.015270 0.628125
H -5.093930 3.941494 1.797276
H -4.920949 4.604145 -0.847015
H -3.388476 4.421035 0.078602
H -3.953847 0.150605 -1.815873
H -5.337999 0.310551 -0.721256
H -3.436114 3.719653 -2.869193
H -2.933087 2.011833 -2.808206
H -2.028002 3.240191 -1.855904
H -5.584363 -1.717950 1.117075
H -1.203576 -0.373777 -1.373664
H -4.064116 -3.582797 1.980837
H 1.781173 -2.566136 -1.525589
H 1.037105 -1.053281 -2.112895
H -1.323711 -4.428026 1.668139
H 0.772111 -3.790080 0.454776
H 2.432992 -1.431182 0.640451
H 1.650790 0.107601 0.057393
H 5.795726 -1.231376 0.781836
H 3.918267 2.493060 -0.424678
H 7.179181 0.019569 2.507899
H 5.294996 3.752603 1.299287
H 6.911854 2.500910 2.752185


