%chk=000148620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148620

0 1
 S   1.7000000E-03  3.0000001E-04  -1.413500    
 O   5.5799998E-02   1.258900      -2.141200    
 O  -8.4700003E-02  -1.257400      -2.141100    
 N    1.045200       2.272200      0.3316000    
 N   -1.039100      -2.272500      0.3321000    
 C    1.421700     -3.2600001E-02 -0.3897000    
 C   -1.433100      3.3100002E-02 -0.3756000    
 C    1.798400       1.077900      0.3656000    
 C   -1.792300      -1.078100      0.3680000    
 C    2.181900      -1.201100     -0.3390000    
 C   -2.176800       1.201100     -0.3349000    
 C    2.935600       1.020100       1.171500    
 C   -2.928200      -1.020800       1.175600    
 C    3.318800      -1.258800      0.4671000    
 C   -3.312500       1.258500      0.4730000    
 C    3.695900     -0.1482000       1.222200    
 C   -3.688300      0.1475000       1.228100    
 H    1.921800      -2.081500     -0.9187000    
 H   -1.916200       2.080700     -0.9143000    
 H    3.240900       1.878000       1.765300    
 H   -3.232600      -1.878900       1.769500    
 H    3.911800      -2.167900      0.5058000    
 H   -3.905400       2.167700      0.5132000    
 H    4.581400     -0.1933000       1.849400    
 H   -4.572800      0.1923000       1.856600    
 H    1.349100       3.065100      0.8819000    
 H   0.3039000       2.401000     -0.3406000    
 H  -0.2989000      -2.400900     -0.3413000    
 H   -1.342000      -3.065700      0.8825000    


%chk=000148620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148620

0 1
S -0.000758 -0.001378 -1.417531
O -0.102151 1.421749 -2.246563
O 0.098374 -1.426451 -2.243564
N 1.489138 2.571332 -0.272101
N -1.491556 -2.572000 -0.269941
C 1.507787 0.096727 -0.285678
C -1.505851 -0.097594 -0.280785
C 2.010992 1.361178 0.150352
C -2.010213 -1.361561 0.155254
C 2.079212 -1.135070 0.080195
C -2.073842 1.134898 0.088505
C 3.113747 1.304651 1.063562
C -3.110546 -1.304102 1.071437
C 3.172943 -1.153231 0.968401
C -3.165090 1.154019 0.979692
C 3.670737 0.079162 1.464370
C -3.664088 -0.078104 1.475261
H 1.670823 -2.060827 -0.338343
H -1.664838 2.060488 -0.329734
H 3.533062 2.247884 1.434043
H -3.530618 -2.247030 1.441836
H 3.625942 -2.102908 1.266426
H -3.615394 2.104184 1.280217
H 4.517947 0.082446 2.159569
H -4.509531 -0.080659 2.172618
H 1.907353 3.437435 0.057687
H 0.862702 2.576132 -1.089094
H -0.865214 -2.576775 -1.086957
H -1.910070 -3.437894 0.059965


