%chk=000028187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028187

0 1
 S    1.419500       3.180500     -0.2692000    
 O  -0.5817000       1.542800     -4.0199999E-02
 N   -3.475300     -0.7165000      0.2896000    
 C   -2.746200      0.5449000      0.1612000    
 C   -1.247700      0.2949000      0.1013000    
 C   -3.166000      -1.601900     -0.8325000    
 C   -4.914800     -0.4695000      0.3642000    
 C    1.571000      0.4235000     -2.2900000E-02
 C   0.7752000       1.651200     -0.1043000    
 C    1.896100     -0.2628000      -1.186400    
 C    1.990300     -4.0500000E-02   1.217600    
 C    2.653300      -1.431900      -1.107900    
 C    2.747300      -1.209600       1.296000    
 C    3.079100      -1.905200      0.1333000    
 H   -2.956300       1.192900       1.022100    
 H   -3.061900       1.109000     -0.7269000    
 H  -0.9781000     -0.3113000     -0.7672000    
 H  -0.9168000     -0.2022000       1.020100    
 H   -2.160500      -2.026600     -0.7531000    
 H   -3.277500      -1.106000      -1.803600    
 H   -3.835800      -2.470900     -0.8275000    
 H   -5.459800      -1.407200      0.5198000    
 H   -5.300700      7.7000000E-03 -0.5441000    
 H   -5.151400      0.1739000       1.219000    
 H    1.567500      9.5700003E-02  -2.158100    
 H    1.735500      0.4920000       2.130000    
 H    2.910700      -1.973900      -2.013100    
 H    3.077900      -1.578600       2.262400    
 H    3.668200      -2.815600      0.1945000    


%chk=000028187-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028187

0 1
S 1.206456 2.991632 -1.035255
O -0.530436 1.530601 0.321461
N -3.598197 -0.632173 0.280243
C -2.732705 0.542086 0.029398
C -1.307836 0.267227 0.539405
C -3.438451 -1.703041 -0.725434
C -5.016777 -0.278303 0.491666
C 1.589112 0.348303 -0.189510
C 0.716587 1.554445 -0.286612
C 2.412503 -0.020742 -1.288509
C 1.673226 -0.403515 1.017717
C 3.283005 -1.124933 -1.190550
C 2.564116 -1.492691 1.119974
C 3.364409 -1.863650 0.014511
H -3.132739 1.408865 0.584318
H -2.692377 0.833782 -1.047830
H -0.822957 -0.571717 0.011575
H -1.329686 0.059553 1.622281
H -2.379631 -2.004497 -0.806278
H -3.789752 -1.401118 -1.744542
H -4.015187 -2.591926 -0.413573
H -5.581092 -1.181444 0.786624
H -5.509483 0.152004 -0.416170
H -5.101486 0.457467 1.310417
H 2.362915 0.576588 -2.204872
H 1.075639 -0.108011 1.886868
H 3.904458 -1.404520 -2.048105
H 2.636966 -2.047325 2.061767
H 4.050499 -2.714149 0.093116


