%chk=000078063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078063

0 1
 S   -2.762500      3.0000001E-04 -0.8327000    
 O    4.426200       1.097200     -0.3379000    
 O    4.426000      -1.098100     -0.3367000    
 N    3.826300     -3.9999999E-04 -0.2371000    
 N   -5.373200     -2.4999999E-03  -1.183400    
 N   -4.637900      8.9999998E-04   1.061200    
 C  -0.3253000      6.0000003E-04  0.4600000    
 C   -1.795800      6.9999998E-04  0.7080000    
 C   0.3626000       1.208400      0.3436000    
 C   0.3623000      -1.207600      0.3451000    
 C    2.425900     -9.9999997E-05 -2.7000001E-03
 C    1.738100       1.208000      0.1122000    
 C    1.737900      -1.208100      0.1138000    
 C   -4.410600      5.0000002E-04 -0.2134000    
 H   -2.068800     -0.8779000       1.304500    
 H   -2.068600      0.8798000       1.304000    
 H  -0.1615000       2.156700      0.4303000    
 H  -0.1621000      -2.155600      0.4330000    
 H    2.241000       2.167900      2.7000001E-02
 H    2.240600      -2.168200      2.9800000E-02
 H   -6.360000     -3.1000001E-03 -0.9493000    
 H   -5.128300     -3.0000000E-03  -2.167600    
 H   -5.652000     -1.9999999E-04   1.216300    


%chk=000078063-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078063

0 1
S -2.754942 -0.000990 -0.889673
O 4.491644 1.140337 -0.373386
O 4.491843 -1.140526 -0.371657
N 3.893698 -0.000066 -0.265700
N -5.421172 -0.001632 -1.251386
N -4.669894 0.000498 1.070558
C -0.334164 0.000162 0.497970
C -1.816798 0.000241 0.773012
C 0.375109 1.224073 0.365189
C 0.375322 -1.223831 0.367119
C 2.433285 0.000007 -0.005206
C 1.760117 1.235580 0.114955
C 1.760333 -1.235490 0.116897
C -4.486286 -0.000731 -0.220054
H -2.159419 -0.891667 1.317621
H -2.159561 0.892856 1.316373
H -0.167252 2.171017 0.459219
H -0.166872 -2.170720 0.462645
H 2.323864 2.166245 0.012809
H 2.324241 -2.166218 0.016210
H -6.416514 -0.001239 -1.037051
H -5.136606 -0.002432 -2.229390
H -5.659678 0.000726 1.380926


