%chk=000100748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100748

0 1
 S   1.2300000E-02 -0.4765000       1.660700    
 O   -3.464000      -1.993900     -0.5070000    
 O   -1.730600      -2.248200      0.8158000    
 N  -0.8086000       1.775000      0.5203000    
 N   -2.471900      -1.530200      0.1037000    
 N    1.627200     -0.6434000     -0.4593000    
 N    2.537000      0.3823000       1.522500    
 N    2.974100     -0.8476000      -2.412200    
 C   -2.177700     -0.1442000     -1.5500000E-02
 C   -1.105000      0.4598000      0.6205000    
 C   -2.999000      0.6528000     -0.8052000    
 C    1.562800     -0.2172000      0.8149000    
 C   -2.726300       2.010400     -0.9329000    
 C   -1.629100       2.518000     -0.2559000    
 C    2.812500     -0.4318000      -1.067900    
 C    3.891800      0.1722000     -0.4557000    
 C    3.694500      0.5624000      0.8530000    
 H   -3.859800      0.2559000      -1.336700    
 H   -3.352400       2.651300      -1.543000    
 H   -1.373300       3.570200     -0.3229000    
 H    4.837600      0.3356000     -0.9570000    
 H    4.485500       1.045500       1.416600    
 H    3.669400      -1.579100      -2.532400    
 H    3.129900     -8.0700003E-02  -3.060800    


%chk=000100748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100748

0 1
S 0.042793 -1.476043 0.607476
O -4.474305 -1.471612 0.742644
O -2.432834 -2.454686 1.048334
N -0.516624 0.982204 -0.425907
N -3.181621 -1.461803 0.679791
N 2.194111 -0.808735 -0.956244
N 2.121568 0.207951 1.254151
N 3.952410 -0.435525 -2.447687
C -2.511293 -0.263090 0.161703
C -1.087209 -0.153373 0.073998
C -3.328256 0.812156 -0.261352
C 1.637289 -0.560238 0.248507
C -2.722190 1.973466 -0.766638
C -1.306258 2.006150 -0.830158
C 3.391727 -0.181450 -1.218477
C 3.993295 0.676640 -0.244985
C 3.316403 0.829023 0.974305
H -4.412710 0.699998 -0.179117
H -3.316472 2.826794 -1.103287
H -0.780858 2.885154 -1.220139
H 4.941511 1.188289 -0.433570
H 3.724222 1.460615 1.770587
H 3.454154 -1.058567 -3.081153
H 4.838047 -0.024717 -2.729182


