%chk=000089114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089114

0 1
 S   -3.326100      2.3700001E-02  0.5098000    
 O   -3.778900      -1.358600      0.5771000    
 O   -3.698900      0.9582000       1.563000    
 O   -5.992700     -0.4947000     -0.9445000    
 O    2.993500      -2.336600      0.2004000    
 N    2.580600     -1.2600000E-02 -2.7000001E-02
 N    3.329000       1.126700     -0.2255000    
 C   -1.587400      1.3200000E-02  0.3521000    
 C   -3.904600      0.7141000      -1.023900    
 C    1.200700     -4.0000002E-03  9.8700002E-02
 C    4.767100     -0.7136000     -0.1480000    
 C  -0.9430000      -1.098700     -0.1906000    
 C  -0.8424000       1.116500      0.7684000    
 C   0.4460000      -1.107300     -0.3167000    
 C   0.5467000       1.107900      0.6422000    
 C    3.352800      -1.183000      3.5500001E-02
 C    4.567800      0.7577000     -0.2978000    
 C   -5.417900      0.8003000      -1.064500    
 C    5.707600       1.690900     -0.5085000    
 H   -3.462000       1.708400      -1.132600    
 H   -3.536200      6.0699999E-02  -1.821500    
 H    5.203400      -1.138200      -1.053900    
 H    5.367600     -0.9336000      0.7364000    
 H   -1.505100      -1.961400     -0.5373000    
 H   -1.324200       1.994700       1.189000    
 H   0.8958000      -1.974900     -0.7891000    
 H    1.105700       1.977700      0.9785000    
 H   -5.802200       1.414700     -0.2448000    
 H   -5.754700       1.241300      -2.007700    
 H    6.395600       1.619100      0.3378000    
 H    5.348000       2.719500     -0.5947000    
 H    6.236300       1.415800      -1.424800    
 H   -5.653900      -1.034500      -1.678900    


%chk=000089114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089114

0 1
S -3.392610 0.518074 0.505048
O -4.009143 -0.942868 0.981261
O -3.639221 1.868298 1.395844
O -5.736172 -1.066579 -1.206852
O 2.946317 -2.465253 -0.667784
N 2.621440 -0.153406 -0.124786
N 3.443873 1.012299 0.074881
C -1.535571 0.300190 0.277978
C -4.145133 0.835017 -1.270889
C 1.213552 -0.013755 0.012369
C 4.839834 -0.824213 -0.434984
C -1.035036 -0.978569 -0.014396
C -0.714648 1.423630 0.471333
C 0.358083 -1.139737 -0.154374
C 0.676848 1.264144 0.333018
C 3.383967 -1.309768 -0.439176
C 4.701156 0.643893 -0.097371
C -5.612033 0.382761 -1.252421
C 5.826770 1.622006 0.041986
H -3.995859 1.917013 -1.418028
H -3.531760 0.225457 -1.953114
H 5.310849 -1.000353 -1.419135
H 5.433481 -1.386012 0.308967
H -1.710681 -1.835623 -0.102881
H -1.152773 2.387585 0.750334
H 0.783902 -2.118844 -0.381649
H 1.356002 2.106517 0.475371
H -6.155031 0.879670 -0.419792
H -6.079941 0.701326 -2.201538
H 6.528226 1.307105 0.837525
H 5.437955 2.622425 0.289911
H 6.411526 1.689912 -0.894739
H -5.314168 -1.362942 -0.345319


