%chk=000097243.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097243

0 1
 S  -0.4551000     -0.9909000     -0.6075000    
 O   -3.385400      -2.359100     -8.1900001E-02
 O   -4.101400       2.065200     -0.9237000    
 N   -1.877600      0.6182000       1.197700    
 N   -3.826900     -0.1386000     -0.4705000    
 N   -2.556800       1.514100      0.6575000    
 C    3.426200      7.2200000E-02  0.3781000    
 C    2.239000     -0.4444000     -0.4408000    
 C    4.730000     -1.7999999E-02 -0.4180000    
 C   0.9486000     -0.3844000      0.3718000    
 C    5.953100      0.4646000      0.3647000    
 C    7.261000      0.3109000     -0.3960000    
 C   -1.772600     -0.7298000      0.6282000    
 C   -3.072100      -1.175100      2.2900000E-02
 C   -3.509900       1.195200     -0.2825000    
 H    3.247900       1.113300      0.6729000    
 H    3.520600     -0.5142000       1.300000    
 H    2.140600      0.1594000      -1.351800    
 H    2.438000      -1.477700     -0.7521000    
 H    4.637000      0.5725000      -1.337900    
 H    4.891900      -1.058800     -0.7255000    
 H    1.042300     -0.9984000       1.273700    
 H   0.7581000      0.6503000      0.6739000    
 H    6.026400     -9.5299996E-02   1.304700    
 H    5.818700       1.519200      0.6331000    
 H   -1.570400      -1.413700       1.460700    
 H    7.239900      0.8854000      -1.327400    
 H    7.447300     -0.7387000     -0.6440000    
 H    8.098100      0.6723000      0.2093000    
 H   -4.647200     -0.3634000      -1.025600    


%chk=000097243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097243

0 1
S -0.493758 -0.665736 -0.677323
O -3.341301 -2.392807 0.426763
O -4.756310 1.734750 -1.229007
N -1.963508 1.060460 0.837093
N -4.026367 -0.352603 -0.473026
N -2.901056 1.741778 0.270833
C 3.550623 -0.067450 0.433290
C 2.282535 -0.307597 -0.423481
C 4.837512 0.004206 -0.420090
C 1.018759 -0.376129 0.448365
C 6.108603 0.259985 0.421705
C 7.390967 0.329690 -0.435230
C -1.856019 -0.442257 0.639220
C -3.111864 -1.179133 0.212615
C -3.958245 1.055235 -0.558554
H 3.435935 0.877173 1.003768
H 3.652658 -0.879171 1.183050
H 2.178630 0.509887 -1.163462
H 2.399416 -1.249712 -0.995256
H 4.732603 0.808760 -1.177307
H 4.958225 -0.943163 -0.985585
H 1.062193 -1.214739 1.164867
H 0.842299 0.570592 0.984287
H 6.212225 -0.542849 1.180096
H 5.987887 1.207243 0.985817
H -1.465312 -0.869139 1.574450
H 7.327710 1.146962 -1.178181
H 7.550616 -0.614882 -0.988722
H 8.284865 0.510047 0.189429
H -4.851219 -0.807103 -0.886425


