%chk=000104858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104858

0 1
 S    1.693300       2.075300      0.2889000    
 O   -1.523500     -0.5497000      -2.180100    
 O    1.862000      -1.640700      0.9945000    
 O   -4.623300      0.1360000       2.288100    
 O   -5.870100       1.348100      0.8330000    
 O    4.818700      0.3504000      0.7719000    
 O    6.337500      -1.254100       1.288700    
 O    2.330600       4.416100      7.5300001E-02
 N  -0.2118000     -0.4816000     -0.2644000    
 N   -6.364800     -0.9542000     -0.5995000    
 N    3.343700      -1.192600     -0.7335000    
 N    2.092600       3.446600     -0.6520000    
 C   -3.932100     -0.7241000     -0.7563000    
 C    1.069400     -0.3847000     -0.9248000    
 C   -2.597800     -0.6405000     -1.2000000E-02
 C   -5.130400     -0.8824000      0.1861000    
 C   -1.411300     -0.5566000     -0.9573000    
 C    1.468900       1.064800      -1.211500    
 C    2.107400      -1.148200     -0.1049000    
 C   -5.270000      0.3162000       1.107000    
 C    4.494200      -1.837600     -0.1451000    
 C    5.316600     -0.9064000      0.7077000    
 H   -3.902500      -1.571500      -1.454300    
 H   -4.050900      0.1799000      -1.369500    
 H   0.9841000     -0.9080000      -1.886600    
 H   -2.467600      -1.523500      0.6247000    
 H   -2.568300      0.2497000      0.6262000    
 H   -5.042600      -1.795000      0.7861000    
 H  -0.2290000     -0.4705000      0.7518000    
 H    2.396200       1.091300      -1.795100    
 H   0.6869000       1.529100      -1.825700    
 H   -7.152900      -1.141800      1.9400001E-02
 H   -6.315100      -1.744700      -1.241300    
 H    3.457500     -0.7771000      -1.652700    
 H    5.117800      -2.199700     -0.9673000    
 H    4.162000      -2.676000      0.4742000    
 H   -4.705800      0.9190000       2.873100    
 H    5.370400      0.9362000       1.332900    


%chk=000104858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104858

0 1
S 1.156011 2.352336 -0.131269
O -1.488390 -0.612726 -2.139537
O 1.726402 -1.116129 1.472140
O -4.670701 -0.852425 2.228007
O -6.767392 0.012480 1.762437
O 5.724904 -0.237457 -1.114994
O 6.893614 -0.783822 0.824163
O 3.729654 3.453888 0.136779
N -0.333150 -0.652341 -0.134084
N -6.410057 -0.188967 -0.932814
N 3.346625 -0.649214 -0.113791
N 3.121700 2.595790 -0.499807
C -3.958040 -0.254029 -0.562047
C 0.964870 -0.444748 -0.773889
C -2.757429 -1.098932 -0.080773
C -5.356086 -0.777972 -0.113325
C -1.493154 -0.765543 -0.873331
C 1.103535 0.971056 -1.395331
C 2.042192 -0.764513 0.290840
C -5.693839 -0.477443 1.347895
C 4.440375 -0.899186 0.827958
C 5.811155 -0.648055 0.225071
H -3.953600 -0.262969 -1.667787
H -3.851186 0.802420 -0.255878
H 1.061532 -1.154948 -1.623944
H -2.981081 -2.171648 -0.259797
H -2.597583 -0.983713 1.004064
H -5.313409 -1.898593 -0.167427
H -0.298768 -0.843856 0.875079
H 2.036510 1.069613 -1.983026
H 0.242570 1.139888 -2.060670
H -7.303365 -0.020003 -0.468100
H -6.450297 -0.486302 -1.905916
H 3.600406 -0.319600 -1.048088
H 4.412037 -1.942043 1.198620
H 4.336409 -0.264349 1.729144
H -4.965731 -0.664368 3.160569
H 6.632757 -0.064078 -1.481440


