%chk=000002082.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002082

0 1
 S   -4.170400     -0.1302000      -1.204100    
 O    5.479600      0.9561000      0.1191000    
 O    4.452200     -0.9526000      0.8414000    
 N   0.9632000       1.030400     -0.7801000    
 N    1.541000     -0.8579000      0.2397000    
 N    3.256100      0.7720000     -0.2173000    
 C  -0.1979000      0.3115000     -0.6556000    
 C   0.1890000     -0.8628000     -1.6200000E-02
 C   -2.465400     -0.4030000     -0.7449000    
 C   -1.513300      0.5795000      -1.036000    
 C  -0.7806000      -1.838900      0.2687000    
 C    1.973100      0.2905000     -0.2308000    
 C   -4.757900      0.6761000      0.3007000    
 C   -2.107800      -1.591400     -0.1041000    
 C   -6.236200      0.3778000      0.5243000    
 C   -6.744600       1.048200       1.792200    
 C    4.390300      0.1450000      0.3014000    
 C    6.729700      0.4497000      0.6016000    
 H   -1.772200       1.508800      -1.532800    
 H    1.056200       1.944500      -1.202500    
 H  -0.5126000      -2.765500      0.7663000    
 H   -4.589600       1.754400      0.2101000    
 H   -4.186300      0.3225000       1.166000    
 H   -2.856600      -2.349100      0.1181000    
 H   -6.831000      0.7353000     -0.3251000    
 H   -6.399800     -0.7035000      0.6090000    
 H   -6.628900       2.135300       1.734600    
 H   -7.806600      0.8270000       1.937900    
 H   -6.199500      0.6901000       2.671400    
 H    3.395800       1.689800     -0.6324000    
 H    6.681300      0.2906000       1.683000    
 H    7.501600       1.194500      0.3906000    
 H    6.986800     -0.4791000      8.3700001E-02


%chk=000002082-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002082

0 1
S -4.157088 0.000846 -1.145395
O 5.673289 0.918539 -0.089871
O 4.640693 -0.921664 0.967492
N 1.122757 1.029259 -0.875246
N 1.652240 -0.816964 0.381243
N 3.448944 0.712144 -0.303704
C -0.097166 0.363292 -0.648595
C 0.258059 -0.785282 0.137560
C -2.410605 -0.275488 -0.615826
C -1.421448 0.646200 -1.030762
C -0.746356 -1.691577 0.543606
C 2.124165 0.271131 -0.234142
C -4.954535 0.416563 0.540292
C -2.075731 -1.429627 0.151517
C -6.471588 0.588048 0.357494
C -7.172167 0.917699 1.695804
C 4.571333 0.107514 0.273912
C 6.974898 0.446288 0.425441
H -1.699033 1.528096 -1.615616
H 1.244133 1.890729 -1.404781
H -0.487040 -2.575710 1.132878
H -4.481621 1.340767 0.914427
H -4.723939 -0.412187 1.231773
H -2.871303 -2.131387 0.423099
H -6.666925 1.395471 -0.374850
H -6.896885 -0.340640 -0.069908
H -6.782074 1.856662 2.131085
H -8.260833 1.038931 1.549570
H -7.017750 0.111279 2.436822
H 3.654113 1.562206 -0.831696
H 6.966615 0.423763 1.528300
H 7.706998 1.175942 0.051770
H 7.194550 -0.565244 0.044207


