%chk=000154606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154606

0 1
 S   -4.317500       1.448000     -0.4273000    
 O    5.843800     -0.7124000     -5.0299998E-02
 O   5.5399999E-02   2.163700      0.3720000    
 O   -4.646600      -2.300800      0.4430000    
 O   -6.132500     -0.7777000     -9.6500002E-02
 N   0.3312000     -0.1084000     -0.1044000    
 N   -4.934400      -1.112700      0.1241000    
 C    1.718100     -0.2602000     -9.1399997E-02
 C   -1.877200      0.8951000     -6.3999998E-03
 C  -0.4191000       1.059900      0.1205000    
 C    2.537400      0.8379000      0.1701000    
 C    2.285200      -1.510200     -0.3396000    
 C   -2.560200     -0.3139000      0.2108000    
 C    4.491100     -0.5639000     -6.4800002E-02
 C    3.923900      0.6860000      0.1833000    
 C    3.671800      -1.662000     -0.3262000    
 C   -2.678000       1.936900     -0.3563000    
 C   -3.914500     -0.1567000      1.4200000E-02
 C    6.622000      0.4514000      0.2254000    
 H  -0.1786000     -0.9585000     -0.3306000    
 H    2.178800       1.837000      0.3717000    
 H    1.659100      -2.375000     -0.5446000    
 H   -2.113700      -1.255000      0.5074000    
 H    4.502300       1.579500      0.3932000    
 H    4.107900      -2.638200     -0.5199000    
 H   -2.408300       2.960200     -0.5788000    
 H    6.426600      0.8370000       1.231800    
 H    6.487800       1.217200     -0.5461000    
 H    7.674400      0.1506000      0.1973000    


%chk=000154606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154606

0 1
S -4.543390 1.534534 -0.016527
O 5.914899 -0.800366 0.038568
O -0.009020 2.290506 0.087089
O -4.620720 -2.467895 -0.157987
O -6.290409 -0.889729 -0.127761
N 0.307861 -0.037884 -0.010279
N -5.044588 -1.244403 -0.121685
C 1.731310 -0.138350 0.005805
C -1.959665 0.874014 -0.000859
C -0.475188 1.108661 0.029721
C 2.594178 0.984969 0.059986
C 2.292314 -1.445889 -0.036412
C -2.673924 -0.375316 -0.056625
C 4.544636 -0.505141 0.030425
C 3.993689 0.798986 0.072255
C 3.682243 -1.630142 -0.024536
C -2.822098 1.973794 0.026655
C -4.050091 -0.198760 -0.070271
C 6.848859 0.327585 0.102281
H -0.181384 -0.933769 -0.058360
H 2.166103 1.988101 0.092634
H 1.636465 -2.325421 -0.078444
H -2.245062 -1.379526 -0.084881
H 4.637596 1.682270 0.114230
H 4.122328 -2.630885 -0.056557
H -2.516206 3.018566 0.069652
H 6.705238 0.915784 1.029320
H 6.740768 0.989105 -0.779091
H 7.849455 -0.128599 0.103253


