%chk=000128054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128054

0 1
 S   -5.135500      -2.974600      0.4933000    
 O    4.236900      -2.834200     -0.2197000    
 N  -0.7289000       1.336500     -0.7291000    
 C   0.3982000      0.5321000     -0.2597000    
 C   0.6479000     -0.6325000      -1.219900    
 C    1.661300       1.396300     -0.1441000    
 C    1.750600      -1.541500     -0.6766000    
 C    2.912700      0.5862000      9.5299996E-02
 C    2.965500     -0.7892000     -0.1952000    
 C   -1.933200      0.5142000     -0.8399000    
 C  -0.9617000       2.465100      0.1717000    
 C   -2.351500     -9.4999999E-02  0.4961000    
 C   -2.116500       3.322200     -0.3403000    
 C    4.065400       1.236500      0.5621000    
 C    4.159800      -1.493300      2.2100000E-02
 C    5.248900      0.5272000      0.7640000    
 C    5.295300     -0.8376000      0.4965000    
 C   -3.577900     -0.9675000      0.3869000    
 C   -2.365400       4.516100      0.5684000    
 C   -4.817300     -0.4926000     -8.7800004E-02
 C   -3.588400      -2.283400      0.7397000    
 C   -5.766300      -1.490900     -8.3700001E-02
 H   0.2228000      0.1312000      0.7465000    
 H   0.9350000     -0.2520000      -2.209400    
 H  -0.2124000      -1.290400      -1.362000    
 H    1.572800       2.089900      0.7005000    
 H    1.813500       1.983600      -1.059500    
 H    2.032200      -2.246700      -1.467900    
 H    1.356500      -2.125400      0.1651000    
 H   -1.822800     -0.2682000      -1.597900    
 H   -2.756100       1.084100      -1.283300    
 H   -1.116200       2.169900       1.215800    
 H  -9.7700000E-02   3.138300      0.1676000    
 H   -1.561800     -0.7161000      0.9298000    
 H   -2.593000      0.6766000       1.236100    
 H   -1.911900       3.676700      -1.357700    
 H   -3.065600       2.779900     -0.3599000    
 H    4.046000       2.303400      0.7709000    
 H    6.133500       1.040300       1.129600    
 H    6.222800      -1.378900      0.6630000    
 H   -2.617400       4.192100       1.583400    
 H   -1.481400       5.159600      0.6223000    
 H   -3.197700       5.116700      0.1875000    
 H    5.134500      -3.145600     -1.1700000E-02
 H   -5.025500      0.5184000     -0.4136000    
 H   -2.779200      -2.886000       1.128600    
 H   -6.800200      -1.419700     -0.3907000    


%chk=000128054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128054

0 1
S -5.556460 -3.023960 -0.391690
O 4.406343 -2.806571 0.079853
N -0.759847 1.226150 -0.448005
C 0.464762 0.478032 -0.006218
C 0.673938 -0.844917 -0.780777
C 1.721372 1.362054 -0.226634
C 1.879906 -1.632277 -0.225772
C 3.052555 0.637714 -0.051695
C 3.124213 -0.777789 -0.066432
C -1.968431 0.405626 -0.695642
C -1.025695 2.426983 0.392833
C -2.603542 -0.294750 0.558040
C -2.167275 3.328531 -0.124894
C 4.238132 1.402377 0.111207
C 4.394167 -1.393146 0.087510
C 5.490627 0.772462 0.250340
C 5.577052 -0.638019 0.239894
C -3.852326 -1.067166 0.191852
C -2.197730 4.682939 0.617216
C -5.107268 -0.433536 -0.175481
C -3.933016 -2.451398 0.124754
C -6.113751 -1.321327 -0.509596
H 0.401404 0.222349 1.084945
H 0.828720 -0.605877 -1.851598
H -0.214392 -1.497566 -0.713819
H 1.717294 2.232415 0.454697
H 1.646619 1.769740 -1.255986
H 2.105097 -2.494777 -0.879288
H 1.616034 -2.072621 0.758680
H -1.738590 -0.364249 -1.450984
H -2.731912 1.054154 -1.160154
H -1.234205 2.152315 1.460466
H -0.108443 3.041723 0.408298
H -1.859022 -0.971156 1.017798
H -2.850378 0.475468 1.315082
H -2.022686 3.493226 -1.210343
H -3.148677 2.830152 -0.000849
H 4.172685 2.496842 0.126240
H 6.399771 1.371260 0.371718
H 6.548073 -1.138108 0.352735
H -2.312082 4.538655 1.708566
H -1.262858 5.250000 0.449559
H -3.039101 5.309882 0.270809
H 5.332017 -3.143986 0.167922
H -5.251121 0.651190 -0.176144
H -3.161821 -3.188417 0.345665
H -7.139550 -1.118827 -0.811478


