%chk=000165358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165358

0 1
 S    7.739200      0.7364000      0.3720000    
 O    7.963700      0.3153000       1.935800    
 O    8.620500     -0.1049000     -0.4247000    
 O    7.814600       2.186200      0.2797000    
 O   -1.104900       1.597900     -0.2411000    
 O   -3.694300      -2.243400      0.5721000    
 N    2.127400     -0.7909000     -0.8660000    
 N    1.118000      8.1200004E-02 -0.6779000    
 N   -4.655400     -0.1813000      0.6886000    
 N   -3.538500      0.5092000      0.3885000    
 C    6.091500      0.2882000      8.3999997E-03
 C    3.452300     -0.4303000     -0.5746000    
 C    5.807900     -0.9853000     -0.4855000    
 C    5.058400       1.203300      0.2115000    
 C    4.491700      -1.343600     -0.7763000    
 C    3.742100      0.8449000     -7.9300001E-02
 C  -2.0000001E-03 -0.4871000     -0.3860000    
 C   -2.510000     -0.2435000      0.1874000    
 C   -1.198700      0.3875000     -0.1536000    
 C  -0.2088000      -1.950100     -0.2585000    
 C   -2.622400      -1.732400      0.2946000    
 C   -1.386800      -2.508600      4.7400001E-02
 C   -5.921300      0.3142000      0.3389000    
 C   -7.074100     -0.4102000      0.6577000    
 C   -6.038600       1.536000     -0.3311000    
 C   -8.331900      8.2000002E-02  0.3096000    
 C   -7.296500       2.028200     -0.6791000    
 C   -8.443100       1.301100     -0.3587000    
 H    6.595400      -1.716600     -0.6445000    
 H    5.254000       2.197700      0.6025000    
 H    4.284600      -2.340200      -1.158500    
 H    2.962700       1.582400      9.3300000E-02
 H    1.988100      -1.655500      -1.375600    
 H   0.6225000      -2.632500     -0.3911000    
 H   -1.470600      -3.587300      0.1347000    
 H   -4.629500     -0.9751000       1.317500    
 H   -7.001900      -1.362300       1.177800    
 H   -5.167600       2.129100     -0.5971000    
 H   -9.224700     -0.4840000      0.5588000    
 H   -7.383800       2.977400      -1.199600    
 H   -9.422400       1.684400     -0.6298000    
 H    7.869700     -0.6464000       2.132300    


%chk=000165358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165358

0 1
S 7.660889 1.308890 -0.187533
O 7.885499 1.342211 1.659144
O 8.763872 0.308181 -0.820513
O 7.532370 2.835158 -0.710056
O -1.052722 0.967017 0.046896
O -3.988923 -2.887704 -0.118167
N 2.258222 -1.400441 -0.177092
N 1.123159 -0.674862 -0.105466
N -4.886816 -0.468888 0.022292
N -3.635197 -0.007859 0.026589
C 5.991965 0.484522 -0.167946
C 3.510817 -0.745832 -0.172231
C 5.950246 -0.917210 -0.251410
C 4.844733 1.294796 -0.085751
C 4.687495 -1.537300 -0.256889
C 3.584939 0.671381 -0.091659
C -0.083664 -1.259867 -0.106313
C -2.606875 -0.898107 -0.036416
C -1.242515 -0.281453 -0.024795
C -0.339654 -2.691533 -0.177141
C -2.800357 -2.353688 -0.111379
C -1.612770 -3.210452 -0.179392
C -5.982095 0.429832 0.082561
C -7.289160 -0.121796 0.073859
C -5.784079 1.833309 0.148730
C -8.404552 0.738951 0.131704
C -6.908914 2.678164 0.206089
C -8.220359 2.140022 0.197980
H 6.873708 -1.499147 -0.325749
H 4.935475 2.384099 -0.034740
H 4.620182 -2.629636 -0.323522
H 2.659475 1.248649 -0.032501
H 2.261334 -2.429512 -0.237065
H 0.497703 -3.401359 -0.229951
H -1.798305 -4.288172 -0.232017
H -5.014024 -1.515966 -0.028866
H -7.426673 -1.208456 0.022378
H -4.763977 2.226590 0.153169
H -9.414828 0.316464 0.125090
H -6.764579 3.762688 0.257073
H -9.088127 2.806488 0.242646
H 8.743579 1.822930 1.848860


