%chk=000031898.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031898

0 1
 S    3.933700     -6.3000000E-03 -0.4101000    
 O   -2.473700       1.565800     -0.1371000    
 O    3.459700      0.2797000      -1.751300    
 O    5.325500      0.2569000     -8.4399998E-02
 N    3.610100      -1.658800     -4.1400000E-02
 N    2.983700      0.8317000      0.7552000    
 C    1.576000       1.021400      0.5250000    
 C   0.6547000      0.3561000       1.323700    
 C    1.155000       1.867400     -0.4934000    
 C   -1.142200       1.387500      8.0700003E-02
 C    3.958800      -2.146000       1.315500    
 C    2.380900      -2.292900     -0.5740000    
 C  -0.7099000      0.5397000       1.100700    
 C  -0.2095000       2.051300     -0.7165000    
 C   -3.281400      0.4409000     -0.1428000    
 C   -2.866200     -0.6832000     -0.8333000    
 C   -4.482800      0.4712000      0.5420000    
 C   -3.680300      -1.815800     -0.8395000    
 C   -5.296700     -0.6615000      0.5359000    
 C   -4.895400      -1.805000     -0.1550000    
 H    3.236200      0.6720000       1.739400    
 H   0.9818000     -0.3020000       2.124100    
 H    1.869700       2.402300      -1.112600    
 H    4.924500      -1.744500       1.634300    
 H    4.047800      -3.236900       1.304200    
 H    3.189800      -1.860000       2.038300    
 H    2.142100      -1.914500      -1.571100    
 H    1.531600      -2.122500      9.0999998E-02
 H    2.542200      -3.371500     -0.6692000    
 H   -1.413100      2.7700000E-02   1.752200    
 H  -0.5402000       2.714800      -1.510800    
 H   -1.936100     -0.7090000      -1.393600    
 H   -4.796200       1.360600       1.080300    
 H   -3.370600      -2.704500      -1.381700    
 H   -6.243100     -0.6533000       1.068800    
 H   -5.529800      -2.686500     -0.1608000    


%chk=000031898-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031898

0 1
S 4.280914 0.233231 0.091958
O -2.482373 1.144590 -0.657741
O 4.100310 0.863799 -1.390540
O 5.608047 0.453580 0.993728
N 4.234733 -1.655097 -0.215197
N 2.837564 1.178764 1.212613
C 1.507567 1.067567 0.761109
C 0.496365 0.363420 1.485087
C 1.147439 1.743607 -0.446992
C -1.169966 1.032076 -0.159999
C 4.389793 -2.431402 1.028813
C 3.165078 -2.075236 -1.141515
C -0.839672 0.363794 1.047319
C -0.176650 1.716307 -0.905763
C -3.498603 0.218487 -0.290787
C -3.288167 -1.179182 -0.325312
C -4.767237 0.763931 -0.003147
C -4.374501 -2.039099 -0.049731
C -5.844705 -0.108785 0.266966
C -5.652478 -1.510288 0.249317
H 2.997556 0.770574 2.155504
H 0.759815 -0.157099 2.414809
H 1.925742 2.278070 -0.998333
H 5.120589 -1.922557 1.680250
H 4.811849 -3.417168 0.756020
H 3.437433 -2.601546 1.578903
H 3.043774 -1.303419 -1.919854
H 2.189400 -2.270428 -0.646635
H 3.502629 -3.006717 -1.635162
H -1.614292 -0.139572 1.633117
H -0.470096 2.230554 -1.825354
H -2.303455 -1.583839 -0.580198
H -4.892322 1.850714 -0.000048
H -4.222468 -3.123576 -0.080210
H -6.832656 0.307617 0.490967
H -6.490355 -2.183371 0.458737


