%chk=000178810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178810

0 1
 S    2.716800      -1.436100     -9.7599998E-02
 O    2.268500     -0.2399000      0.9368000    
 O    2.911800       2.104500     -0.4113000    
 O   -1.793400      -1.744600      -1.009100    
 O   -3.503000      -2.192800      0.4128000    
 O    3.779700      -2.323000      0.7675000    
 O    1.564900      -2.272000     -0.3813000    
 O    3.451900     -0.8215000      -1.188000    
 N   -4.614600      0.2345000     -0.2223000    
 C   -2.473900      0.9036000      0.7704000    
 C   -1.030500       1.221800      0.4550000    
 C   -3.164700      9.8399997E-02 -0.3412000    
 C  -4.0399998E-02  0.3357000      0.8457000    
 C  -0.7267000       2.393800     -0.2175000    
 C    1.291800      0.6299000      0.5553000    
 C   0.6054000       2.688100     -0.5079000    
 C    1.614700       1.806000     -0.1215000    
 C   -2.858500      -1.386400     -0.2457000    
 H   -2.529600      0.3705000       1.729600    
 H   -2.998800       1.855100      0.9357000    
 H   -2.880900      0.4533000      -1.338700    
 H  -0.2886000     -0.5790000       1.377300    
 H   -1.505900       3.085400     -0.5246000    
 H   0.8430000       3.607500      -1.036400    
 H   -4.875000       1.214700     -0.3272000    
 H   -4.911600     -3.2200001E-02  0.7162000    
 H    2.943600       2.954800     -0.8823000    
 H   -1.609000      -2.706400     -0.9516000    
 H    4.466300      -1.804800       1.249500    


%chk=000178810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178810

0 1
S 2.434940 -1.577415 -0.512899
O 2.380844 0.880297 1.965927
O 2.991204 1.852525 -0.527741
O -1.082395 -0.361700 -1.522295
O -1.182003 -1.854569 0.262820
O 1.332491 -2.096908 0.752271
O 1.443272 0.104386 -1.106724
O 2.142434 -2.387348 -1.866853
N -3.975143 -0.943197 0.626027
C -2.453130 1.012562 0.985721
C -1.012410 1.427058 0.755653
C -2.942836 -0.145456 -0.014757
C 0.003968 0.913661 1.535225
C -0.674047 2.284221 -0.402473
C 1.425250 1.078876 1.172964
C 0.586070 2.295733 -0.923752
C 1.656293 1.390093 -0.345296
C -1.669043 -0.904663 -0.428597
H -2.569400 0.599220 2.002048
H -3.160772 1.852084 0.871856
H -3.350274 0.323116 -0.925715
H -0.201325 0.348571 2.450156
H -1.471875 2.881483 -0.858179
H 0.847562 2.887688 -1.808146
H -4.645749 -1.385756 -0.005745
H -3.630113 -1.575201 1.354993
H 3.152303 2.009649 -1.494238
H -0.039162 -0.343186 -1.520792
H 0.316347 -2.146924 0.476142


