%chk=000100514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100514

0 1
 S   0.6278000      0.2356000      -1.515800    
 O   -1.013800      -2.337500     -0.7718000    
 O   -2.819600      -2.255800      0.4739000    
 N   -1.096500       1.794400     -0.1046000    
 N   -2.631100      0.4300000      0.7416000    
 N   -1.855000      -1.675900     -0.1001000    
 N    3.149600     -0.3148000     -0.7455000    
 N    1.797400     -1.6700000E-02  0.9451000    
 N    3.946800     -0.4876000      0.3196000    
 C  -0.7549000      0.5399000     -0.5254000    
 C   -1.716200     -0.2849000      9.8000001E-03
 C   -2.228800       1.678400      0.6528000    
 C  -0.4191000       3.040100     -0.3857000    
 C    1.932500     -4.8200000E-02 -0.3113000    
 C    3.081000     -0.2971000       1.317400    
 H   -2.715200       2.528400       1.111900    
 H   0.5901000       2.990600      3.0600000E-02
 H  -0.3908000       3.186900      -1.468300    
 H  -0.9658000       3.864600      7.9499997E-02
 H    3.531600     -0.3996000      -1.680900    
 H    3.395500     -0.3643000       2.348500    


%chk=000100514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100514

0 1
S 0.814107 0.757434 -1.632816
O -0.255986 -2.227139 -0.787575
O -2.515114 -2.461890 -0.579464
N -1.216611 1.839757 -0.011309
N -2.621000 0.135211 0.530543
N -1.448862 -1.754836 -0.542005
N 2.172078 -1.049576 0.068227
N 3.074648 1.001053 0.062208
N 3.259815 -1.151805 0.925904
C -0.657570 0.685224 -0.575195
C -1.555252 -0.343734 -0.218622
C -2.387259 1.455983 0.641492
C -0.661194 3.203409 -0.094142
C 2.072071 0.231645 -0.425529
C 3.775549 0.115162 0.874677
H -3.017565 2.157946 1.181964
H 0.419954 3.180640 0.115253
H -0.820924 3.630008 -1.098151
H -1.166184 3.833551 0.654335
H 1.516943 -1.822487 -0.104087
H 4.663856 0.390943 1.435593


