%chk=000117639.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117639

0 1
 S    1.148800     -0.1876000       1.293700    
 O    1.578100       1.084100       1.857800    
 O    1.070100      -1.361500       2.150500    
 O    4.654100      0.5030000     -0.8637000    
 N    2.137900     -0.5543000     -4.9699999E-02
 N   -2.761700       2.821500     -0.1348000    
 C  -0.4214000      3.2400001E-02  0.5517000    
 C   -1.127200      -1.044600      1.5300000E-02
 C   -2.376100     -0.8378000     -0.5705000    
 C  -0.9646000       1.316100      0.5025000    
 C   -2.213600       1.523000     -8.3099999E-02
 C   -2.919300      0.4460000     -0.6196000    
 C    2.272900      0.4136000      -1.147600    
 C  -0.5526000      -2.425100      6.3299999E-02
 C   -3.152100      -1.973200      -1.153600    
 C    3.626800      0.2443000      -1.812200    
 H  -0.4288000       2.168500      0.9114000    
 H    2.360300      -1.533200     -0.2654000    
 H   -3.892300      0.6127000      -1.076500    
 H    2.178500       1.433000     -0.7595000    
 H    1.478300      0.2373000      -1.879200    
 H   0.4924000      -2.462300     -0.2425000    
 H  -0.6650000      -2.848500       1.066400    
 H   -1.042700      -3.120900     -0.6233000    
 H   -2.644300      -2.377100      -2.035500    
 H   -3.305700      -2.765300     -0.4133000    
 H   -4.149100      -1.653000      -1.477500    
 H    3.742100      0.9382000      -2.650400    
 H    3.761400     -0.7755000      -2.186200    
 H   -3.668700       2.971700     -0.5563000    
 H   -2.252100       3.602400      0.2568000    
 H    4.540300       1.416300     -0.5496000    


%chk=000117639-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117639

0 1
S 1.307074 -0.231563 0.735583
O 1.862742 1.295515 1.047800
O 1.522661 -1.409817 1.832698
O 4.402242 0.725833 0.056215
N 2.108777 -0.872297 -0.854596
N -2.827516 2.854847 0.001772
C -0.511717 -0.022343 0.238966
C -1.282570 -1.157494 -0.095954
C -2.651026 -0.875280 -0.417972
C -0.957971 1.304555 0.291678
C -2.317794 1.558605 -0.030363
C -3.138651 0.450310 -0.383510
C 2.657908 0.237137 -1.689511
C -0.711754 -2.563662 -0.110090
C -3.603653 -1.996880 -0.800684
C 4.126141 0.629226 -1.369513
H -0.268193 2.101996 0.587340
H 2.863318 -1.482975 -0.474596
H -4.191683 0.630822 -0.633792
H 1.993625 1.113251 -1.563818
H 2.574548 -0.083699 -2.746041
H 0.209971 -2.601404 -0.718751
H -0.437591 -2.892272 0.908575
H -1.429508 -3.285825 -0.526318
H -3.268806 -2.521903 -1.714757
H -3.682268 -2.755402 -0.000249
H -4.616408 -1.604804 -0.992738
H 4.356256 1.577484 -1.903646
H 4.815815 -0.149026 -1.744463
H -3.803608 3.035526 -0.212451
H -2.243217 3.637825 0.279360
H 3.647556 1.197915 0.523224


