%chk=000147564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147564

0 1
 S   0.2200000     -0.5323000      -1.314800    
 O   0.4452000      -1.958700      -1.503100    
 O   0.1327000      0.3455000      -2.474700    
 N    1.990000      -2.096900      0.6128000    
 N   -3.970700       2.058600      0.1934000    
 C    1.569000      0.1059000     -0.3580000    
 C   -1.244000     -0.3852000     -0.3753000    
 C    2.291200     -0.7231000      0.4821000    
 C   -2.018200      0.7717000     -0.4661000    
 C    1.869400       1.451700     -0.4817000    
 C   -1.639600      -1.424800      0.4662000    
 C   -3.187800      0.8889000      0.2849000    
 C    3.346800     -0.1905000       1.222200    
 C   -2.809300      -1.307600       1.217000    
 C    2.925200       1.984300      0.2582000    
 C   -3.583400     -0.1507000       1.126500    
 C    3.663700       1.163200       1.110300    
 H   -1.714700       1.589700      -1.114800    
 H    1.303200       2.114600      -1.128600    
 H   -1.055800      -2.335600      0.5582000    
 H    3.930700     -0.8186000       1.890200    
 H   -3.117200      -2.116700       1.872800    
 H    3.170600       3.038900      0.1733000    
 H   -4.492600     -7.1500003E-02   1.717000    
 H    4.485100       1.578300       1.687000    
 H    1.227700      -2.523000      0.1085000    
 H    2.541400      -2.667800       1.240500    
 H   -4.819100       2.143600      0.7373000    
 H   -3.685000       2.812700     -0.4169000    


%chk=000147564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147564

0 1
S 0.203578 -0.435620 -1.400005
O 0.409738 -2.035237 -1.761082
O 0.016494 0.674456 -2.588513
N 2.078702 -2.202687 0.463739
N -4.277153 1.938907 -0.040393
C 1.659030 0.103898 -0.321732
C -1.334546 -0.292396 -0.291896
C 2.371143 -0.847850 0.468888
C -2.197242 0.769047 -0.578625
C 1.985985 1.468885 -0.381967
C -1.543985 -1.255343 0.707833
C -3.379925 0.904019 0.207226
C 3.423777 -0.311790 1.278993
C -2.718550 -1.102034 1.483864
C 3.036521 1.961781 0.418721
C -3.620435 -0.046066 1.245851
C 3.738557 1.057593 1.256375
H -1.962388 1.452890 -1.402965
H 1.423294 2.121635 -1.058820
H -0.846214 -2.080673 0.870126
H 3.999080 -0.998710 1.911433
H -2.933272 -1.820835 2.282036
H 3.302791 3.022160 0.390044
H -4.524932 0.045319 1.859350
H 4.555451 1.425628 1.887579
H 1.498302 -2.568587 -0.306600
H 2.653940 -2.835934 1.013701
H -5.130040 2.030263 0.503583
H -4.113203 2.601882 -0.792343


