%chk=000106348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106348

0 1
 S   0.1826000       1.441200       1.201700    
 O  -0.1625000      0.8490000       2.488700    
 O   0.7158000       2.798000       1.182700    
 N   -1.203100       1.351300      0.1575000    
 N    2.248800       2.248500     -0.8893000    
 C    1.355300      0.3946000      0.4292000    
 C   -1.213200       2.237100      -1.036400    
 C   -1.776200      3.1599998E-02 -1.9800000E-02
 C    2.253800      0.8857000     -0.5182000    
 C    1.378700     -0.9558000      0.7782000    
 C    2.300500      -1.814800      0.1799000    
 C   -2.636200       2.452000      -1.515300    
 C    3.175500      2.6600000E-02  -1.116500    
 C   -1.228000     -0.8221000     -0.9613000    
 C   -2.858100     -0.3449000      0.7569000    
 C    3.198900      -1.323600     -0.7674000    
 C    2.325500      -3.258700      0.5518000    
 C   -1.779200      -2.092100      -1.131600    
 C   -3.409200      -1.615000      0.5866000    
 C   -2.869700      -2.488500     -0.3576000    
 H  -0.8067000       3.217800     -0.7692000    
 H  -0.5954000       1.826100      -1.840700    
 H   0.6875000      -1.354500       1.516500    
 H   -3.080200       1.533900      -1.912800    
 H   -3.276800       2.815000     -0.7045000    
 H   -2.652700       3.196100      -2.318300    
 H    3.881300      0.3958000      -1.856300    
 H  -0.3986000     -0.5276000      -1.596300    
 H   -3.282600      0.3313000       1.493400    
 H    3.923100      -1.982000      -1.239800    
 H    2.914200      -3.401800       1.463400    
 H    1.311200      -3.635300      0.7227000    
 H    2.763800      -3.869200     -0.2450000    
 H   -1.362700      -2.770200      -1.870800    
 H   -4.258700      -1.923500       1.189000    
 H    1.582200       2.899700     -0.5034000    
 H    2.909200       2.576300      -1.582200    
 H   -3.299600      -3.476900     -0.4911000    


%chk=000106348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106348

0 1
S 0.062969 1.429286 1.239547
O -0.389163 0.685011 2.610687
O 0.472679 3.022272 1.248799
N -1.571455 1.342607 0.004214
N 2.547998 2.469752 -0.503508
C 1.471091 0.454827 0.460520
C -1.184849 2.049347 -1.247561
C -2.050824 0.000521 -0.071364
C 2.478601 1.100158 -0.320159
C 1.421572 -0.939810 0.672692
C 2.390148 -1.784093 0.090859
C -2.458669 2.482929 -2.004291
C 3.446273 0.220777 -0.906551
C -1.941881 -0.820867 -1.233589
C -2.702733 -0.517999 1.087488
C 3.393957 -1.166781 -0.709488
C 2.375725 -3.284358 0.321515
C -2.490111 -2.119507 -1.236504
C -3.221413 -1.827318 1.081685
C -3.123288 -2.633096 -0.079347
H -0.629365 2.951915 -0.936061
H -0.519590 1.453056 -1.910467
H 0.633004 -1.351884 1.312367
H -3.047654 1.614698 -2.346753
H -3.098107 3.097218 -1.348182
H -2.177757 3.084875 -2.887818
H 4.246853 0.659198 -1.514686
H -1.441109 -0.446005 -2.132147
H -2.791699 0.122666 1.968457
H 4.160635 -1.795331 -1.179594
H 3.215411 -3.601257 0.969605
H 1.439903 -3.607110 0.808477
H 2.469981 -3.840477 -0.629680
H -2.417060 -2.735907 -2.139711
H -3.716313 -2.215399 1.978573
H 1.925963 3.074797 0.050913
H 3.321795 2.867463 -1.029111
H -3.543016 -3.645077 -0.085427


