%chk=000146584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146584

0 1
 S    1.113400     -0.3523000     -0.6742000    
 O   0.6085000      0.7898000      -1.423000    
 O    1.040400      -1.686200      -1.254500    
 O   -5.546900     -5.9599999E-02 -0.3087000    
 O   -4.402500       1.802800     -0.1058000    
 N   -2.069600      0.3606000      0.3913000    
 N   -1.758500      -1.836100      0.4902000    
 N   -4.452700      0.5387000     -9.6299998E-02
 C   0.2468000     -0.4146000      0.8778000    
 C   -1.198200     -0.6624000      0.5854000    
 C    2.769100     -1.7000001E-02 -0.2332000    
 C   -3.291600     -0.2016000      0.1511000    
 C   -1.766100       1.773600      0.4327000    
 C   -3.074300      -1.557800      0.2168000    
 C    3.650600      -1.068500      1.8300001E-02
 C    3.210500       1.302400     -0.1321000    
 C    4.973300     -0.8007000      0.3712000    
 C    4.533200       1.570200      0.2207000    
 C    5.414500      0.5186000      0.4722000    
 H   0.6563000      -1.259200       1.442600    
 H   0.4404000      0.4937000       1.449500    
 H  -0.7125000       1.959500      0.6333000    
 H   -2.001500       2.212600     -0.5406000    
 H   -2.346700       2.233700       1.236800    
 H   -3.793800      -2.353100      8.2900003E-02
 H    3.326400      -2.103200     -4.8300002E-02
 H    2.539600       2.136800     -0.3161000    
 H    5.659200      -1.619200      0.5688000    
 H    4.876700       2.597300      0.3014000    
 H    6.444100      0.7272000      0.7478000    


%chk=000146584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146584

0 1
S 1.235806 1.669617 -0.310768
O 1.718806 3.230176 -0.210364
O 0.386845 1.107164 -1.594131
O -4.236063 -2.459139 -0.295174
O -4.547110 -0.292602 -0.981655
N -2.078526 0.414796 0.311659
N -0.717575 -0.999821 1.493855
N -3.873113 -1.218335 -0.366787
C 0.038499 1.367346 1.331309
C -0.908727 0.291233 1.062167
C 2.757953 0.570940 -0.075164
C -2.645203 -0.866655 0.286662
C -2.559434 1.634021 -0.373650
C -1.792243 -1.716171 1.020630
C 2.671647 -0.778664 -0.453798
C 3.914552 1.176914 0.441824
C 3.828898 -1.574382 -0.285992
C 5.060379 0.362462 0.598134
C 5.013311 -1.006019 0.240391
H 0.755621 1.092698 2.115343
H -0.357620 2.385935 1.448049
H -1.890126 2.468991 -0.122617
H -2.532529 1.485482 -1.462847
H -3.590108 1.861504 -0.065671
H -1.928127 -2.776563 1.213449
H 1.749364 -1.186493 -0.878634
H 3.920385 2.245123 0.683338
H 3.802855 -2.631801 -0.567947
H 5.984456 0.797767 0.992098
H 5.905229 -1.629522 0.364289


