%chk=000071862.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071862

0 1
 S   -1.262200       2.145500     -0.6500000    
 O   -5.931500      0.3039000      0.2544000    
 O    6.183200      -1.126800     -0.1289000    
 O    4.357300     -0.9983000      -1.465200    
 N  -0.4636000     -0.8412000     -0.3242000    
 C   0.5838000      9.8200001E-02 -0.1481000    
 C    2.930700      0.6255000      0.3539000    
 C   0.3418000       1.482600     -0.2477000    
 C   -1.845900     -0.5559000     -0.1883000    
 C    4.305600      0.1543000      0.6877000    
 C    1.900900     -0.3010000      0.1684000    
 C   -2.328500      0.7638000     -0.2915000    
 C    2.672000       1.982400      0.2339000    
 C    1.382900       2.410300     -6.4999998E-02
 C  -8.4399998E-02  -2.232800     -0.6012000    
 C   -2.793800      -1.564800      9.0400003E-02
 C    4.393500     -0.6320000       2.011500    
 C   -3.699400       1.042300     -0.1481000    
 C   -4.608400      2.2600001E-02  0.1143000    
 C   -4.154600      -1.281900      0.2368000    
 C    4.924500     -0.7045000     -0.4209000    
 C   -6.804000     -0.7922000      0.5277000    
 H    4.964700       1.028700      0.7792000    
 H    2.133300      -1.355500      0.2990000    
 H    3.457000       2.720300      0.3729000    
 H    1.199000       3.479200     -0.1533000    
 H  -0.8316000      -2.748000      -1.216500    
 H   5.3399999E-02  -2.790100      0.3318000    
 H   0.8355000      -2.297800      -1.194600    
 H   -2.490000      -2.600500      0.2243000    
 H    3.919300     -7.3399998E-02   2.826100    
 H    3.899600      -1.607400       1.937500    
 H    5.435400     -0.8139000       2.296500    
 H   -4.068400       2.062400     -0.2403000    
 H   -4.798100      -2.128500      0.4509000    
 H    6.559200      -1.678300     -0.8477000    
 H   -6.570900      -1.261100       1.489600    
 H   -6.811300      -1.515100     -0.2951000    
 H   -7.817900     -0.3865000      0.6065000    


%chk=000071862-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071862

0 1
S -1.204974 2.088696 -1.077811
O -5.851894 0.375092 0.385834
O 5.847168 -0.340709 -0.926894
O 4.539788 -2.129764 -0.241808
N -0.397636 -0.862387 -0.655915
C 0.620357 0.069514 -0.308737
C 2.930639 0.560146 0.420619
C 0.380144 1.471838 -0.392375
C -1.772705 -0.586552 -0.374998
C 4.306556 0.066697 0.896799
C 1.902130 -0.365127 0.119177
C -2.288978 0.738495 -0.472122
C 2.669032 1.945759 0.334251
C 1.385590 2.394961 -0.053647
C -0.011178 -2.254072 -0.931928
C -2.673521 -1.611785 0.005663
C 4.232550 -0.586962 2.302742
C -3.632476 1.024974 -0.191496
C -4.522750 -0.021695 0.157595
C -4.041221 -1.346558 0.251268
C 4.873616 -0.929941 -0.109863
C -6.808388 -0.672393 0.745516
H 4.993128 0.929581 0.926096
H 2.113117 -1.434711 0.210516
H 3.455533 2.672461 0.565105
H 1.173044 3.467444 -0.117090
H -0.785523 -2.725879 -1.559329
H 0.121031 -2.866961 -0.014520
H 0.937109 -2.265721 -1.493620
H -2.312122 -2.637348 0.121969
H 3.793026 0.125409 3.021671
H 3.605431 -1.494086 2.278728
H 5.238064 -0.873564 2.660351
H -4.016273 2.047284 -0.254696
H -4.701661 -2.174283 0.524661
H 6.164289 -1.009524 -1.594159
H -6.525131 -1.169499 1.694232
H -6.896868 -1.430689 -0.057415
H -7.769943 -0.153643 0.872327


