%chk=000130209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130209

0 1
 S   -4.370800      -1.352700      0.5850000    
 O    2.631300     -0.5920000     -0.9547000    
 O    2.010000       2.170800       1.259100    
 O    4.165400       1.980900     -0.3850000    
 O    4.330200      -2.770100     -0.4726000    
 O   -5.657500     -0.5809000      0.3896000    
 N   0.4476000     -0.2490000     -9.2299998E-02
 N   -1.044400      -1.826500      0.4210000    
 N   -1.044600       1.637800     -0.4318000    
 N   -3.374300       1.002300     -7.9400003E-02
 N   -2.779600       3.189600     -0.6696000    
 N   -4.045700      -2.397300     -0.6734000    
 C    2.451800      0.8799000      0.8919000    
 C    1.744100      0.3714000     -0.3548000    
 C    3.901200      0.8523000      0.4483000    
 C    3.956500     -0.4119000     -0.4037000    
 C    4.315100      -1.654000      0.4000000    
 C  -0.7771000      0.3564000     -0.1385000    
 C   0.2333000      -1.559800      0.2476000    
 C   -1.687400     -0.6378000      0.1829000    
 C   -3.030800     -0.2766000      0.2071000    
 C   -2.374600       1.867200     -0.3767000    
 H    2.299900      0.2025000       1.740200    
 H    1.571300       1.167700      -1.089200    
 H    4.610900      0.8765000       1.280200    
 H    4.638300     -0.3102000      -1.255700    
 H    3.585000      -1.859000       1.189200    
 H    5.305900      -1.557400      0.8534000    
 H    2.196900       2.774300      0.5199000    
 H    5.086400       1.907500     -0.6888000    
 H    1.038700      -2.272700      0.3597000    
 H    3.446100      -2.842800     -0.8710000    
 H   -2.081500       3.883000     -0.9002000    
 H   -3.762200       3.424600     -0.6461000    
 H   -4.812600      -2.984800     -0.9964000    
 H   -3.234600      -3.007100     -0.5791000    


%chk=000130209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130209

0 1
S -4.747198 -1.144228 0.515105
O 2.448938 -0.452817 -0.902780
O 2.242810 1.783649 2.035696
O 4.156134 2.063972 0.235474
O 4.184534 -2.594650 -1.434758
O -5.920190 -0.820388 -0.579878
N 0.365414 -0.123578 0.202473
N -1.259657 -1.632407 0.796433
N -1.068953 1.682397 -0.695395
N -3.459882 1.115694 -0.541970
N -2.747609 3.143762 -1.468581
N -3.912218 -2.733994 -0.076023
C 2.561078 0.621541 1.246601
C 1.674782 0.455723 -0.025778
C 3.988208 0.655623 0.635206
C 3.907601 -0.302028 -0.574048
C 4.445292 -1.715160 -0.300779
C -0.856260 0.477204 -0.126511
C 0.055697 -1.388092 0.746920
C -1.858908 -0.470021 0.262061
C -3.184682 -0.066715 0.007233
C -2.404273 1.951437 -0.887942
H 2.441182 -0.252263 1.909606
H 1.515853 1.434971 -0.515773
H 4.766598 0.359439 1.364415
H 4.400970 0.125854 -1.466734
H 3.995196 -2.118266 0.634286
H 5.543404 -1.696962 -0.187085
H 2.686687 2.560038 1.595814
H 5.086882 2.247977 -0.038035
H 0.827214 -2.089486 1.053690
H 3.223187 -2.508347 -1.668854
H -2.020151 3.793945 -1.752906
H -3.731423 3.339000 -1.636848
H -4.508724 -3.518725 0.235352
H -2.949334 -2.782000 0.320413


