%chk=000145932.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145932

0 1
 S  -1.9200001E-02 -0.6197000      0.7706000    
 O   -2.029800       2.560000     -0.1998000    
 O   -1.104200       1.016900      -1.576000    
 O    3.268500      -2.040600     -0.1187000    
 O    2.799000     -0.3787000      -1.589600    
 N    3.630600       1.199400      0.7521000    
 N   -4.401600      -1.945000     -6.1200000E-02
 C   -1.498700      0.4483000      0.7708000    
 C   -2.799300     -0.3584000      0.9030000    
 C    1.232800      0.6819000      0.7739000    
 C    2.651900      0.1106000      0.7743000    
 C   -3.145700      -1.240300     -0.3026000    
 C   -1.502700       1.333700     -0.4630000    
 C    2.918300     -0.7680000     -0.4337000    
 H   -1.405700       1.091700       1.654000    
 H   -2.756900     -0.9725000       1.812700    
 H   -3.622700      0.3534000       1.055300    
 H    1.087800       1.307200       1.662200    
 H    1.100200       1.315200     -0.1094000    
 H    2.815800     -0.4748000       1.687000    
 H   -2.360800      -1.980600     -0.4831000    
 H   -3.253300     -0.6357000      -1.208500    
 H    3.520700       1.752200     -9.7199999E-02
 H    4.575100      0.8170000      0.7318000    
 H   -4.648400      -2.487200     -0.8881000    
 H   -5.153600      -1.270100      7.2400004E-02
 H   -2.039800       3.131300     -0.9972000    
 H    3.418100      -2.587700     -0.9191000    


%chk=000145932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145932

0 1
S -0.002803 -0.590563 0.498773
O -2.796919 2.346445 -0.208092
O -0.929788 1.710901 -1.427398
O 2.885284 -2.211890 -0.114505
O 3.492525 -0.512367 -1.581694
N 3.755753 1.154628 0.838711
N -4.391973 -1.921973 -0.026056
C -1.501275 0.543221 0.715553
C -2.768728 -0.326569 0.924904
C 1.368798 0.722708 0.512179
C 2.760279 0.077517 0.717086
C -3.146581 -1.186456 -0.301358
C -1.663402 1.539706 -0.432178
C 3.081935 -0.870676 -0.455837
H -1.330707 1.136459 1.634446
H -2.615175 -0.989445 1.794642
H -3.606006 0.355764 1.166536
H 1.191023 1.407498 1.357578
H 1.321464 1.272736 -0.441751
H 2.748558 -0.514383 1.647499
H -2.344277 -1.921592 -0.493668
H -3.197298 -0.528183 -1.203658
H 3.937684 1.632242 -0.051884
H 4.622089 0.872616 1.307722
H -4.561598 -2.729795 -0.630040
H -5.221505 -1.330241 0.078246
H -2.866943 3.012189 -0.945346
H 3.055988 -2.790999 -0.907510


