%chk=000034862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034862

0 1
 S    2.623900       2.472300     -0.1234000    
 S   -1.715000      0.5357000     -0.8306000    
 S   -4.670200      0.2923000      -1.521000    
 O    4.156700      -1.891900     -0.5914000    
 O   0.9414000      -2.400200       1.300200    
 O   0.7476000      -2.220900     -0.9715000    
 N    2.808600     -0.1498000      0.2494000    
 N    5.014100       1.151500      -1.306900    
 N   -3.755500      0.1272000      0.8670000    
 N   -5.125500     -3.3700000E-02  0.9793000    
 C    3.449500       1.079500      0.6795000    
 C    4.722600      0.5446000     -1.2100000E-02
 C    3.924500     -0.7801000     -0.1771000    
 C    1.473100     -0.3772000      0.3420000    
 C   0.5982000      0.6311000      0.5703000    
 C    1.009300       2.100100      0.6413000    
 C  -0.8878000      0.4486000      0.7661000    
 C    1.014200      -1.756200      0.1186000    
 C   -3.431500      0.2992000     -0.3714000    
 C   -5.722300      3.1500001E-02 -0.1916000    
 C   -7.175500     -0.1037000     -0.4165000    
 H    3.533300       1.152400       1.770500    
 H    5.592500      0.4555000      0.6456000    
 H   0.2773000       2.726000      0.1206000    
 H    1.032400       2.418900       1.689200    
 H    4.194400       1.299000      -1.894600    
 H    5.673600      0.6165000      -1.870400    
 H   -1.279600       1.216200       1.443400    
 H   -1.101500     -0.5182000       1.234300    
 H   0.6371000      -3.327100       1.197400    
 H   -7.588000      0.8005000     -0.8757000    
 H   -7.395000     -0.9572000      -1.065900    
 H   -7.697900     -0.2637000      0.5323000    


%chk=000034862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034862

0 1
S 1.226826 2.154313 0.180285
S -1.948775 -1.837626 -0.199409
S -4.615701 -0.632755 -1.323902
O 3.913697 -1.003107 -1.572282
O 3.005314 -2.897901 0.608215
O 0.755595 -3.357201 0.260568
N 2.624615 -0.241784 0.370962
N 3.971155 2.316926 -1.284863
N -3.151621 0.570112 0.561733
N -4.253324 1.426079 0.343535
C 2.760815 1.188981 0.718017
C 3.980701 1.290655 -0.286202
C 3.604154 -0.198914 -0.681836
C 1.495832 -1.047590 0.624865
C 0.288099 -0.485549 1.004274
C 0.074305 1.011069 1.161684
C -0.914206 -1.318849 1.357890
C 1.671076 -2.520280 0.468525
C -3.177013 -0.526547 -0.199814
C -5.101590 0.989353 -0.579319
C -6.340815 1.711480 -1.008385
H 2.948516 1.375702 1.786465
H 4.936174 1.317928 0.264705
H -0.954268 1.266648 0.849002
H 0.163037 1.291308 2.228975
H 3.227623 2.298642 -1.981680
H 4.863649 2.689723 -1.597960
H -1.621859 -0.761688 1.991000
H -0.666373 -2.294318 1.797036
H 3.093639 -3.868568 0.408544
H -6.312144 1.959834 -2.084526
H -7.246221 1.105125 -0.826373
H -6.421912 2.647498 -0.432830


