%chk=000004298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004298

0 1
 S    1.020300      -1.592000      0.5912000    
 O    1.318100      -1.125900       1.939500    
 O    1.118100      -3.014200      0.2906000    
 N    2.001400     -0.7323000     -0.5130000    
 N    6.923500      0.8976000      0.3442000    
 C    3.330600       1.285700     -0.9728000    
 C    1.980800      0.7375000     -0.5202000    
 C    4.481800      0.8326000     -6.6000000E-02
 C  -0.5865000      -1.064900      0.1566000    
 C   -2.433300      0.4946000      0.4323000    
 C   -1.142000      5.8200002E-02  0.7704000    
 C    5.849200       1.326000     -0.5433000    
 C   -3.171600     -0.2177000     -0.5425000    
 C   -1.312600      -1.765400     -0.8020000    
 C   -2.596700      -1.345700      -1.150500    
 C   -3.007800       1.622900       1.040100    
 C   -4.463000      0.2189000     -0.8805000    
 C   -4.292100       2.042400      0.6922000    
 C   -5.018300       1.341700     -0.2661000    
 H    3.286700       2.381000     -0.9912000    
 H    3.531200      0.9544000      -1.999300    
 H    1.754000       1.125300      0.4780000    
 H    1.201100       1.078100      -1.209200    
 H    4.295700       1.195600      0.9530000    
 H    4.508000     -0.2628000     -1.1400000E-02
 H    2.231200      -1.182500      -1.407900    
 H  -0.5739000      0.6084000       1.517900    
 H    6.048900      0.9437000      -1.550200    
 H    5.848200       2.420100     -0.6018000    
 H  -0.8974000      -2.638000      -1.298300    
 H   -3.145500      -1.907400      -1.903700    
 H   -2.458600       2.186100       1.791800    
 H   -5.048800     -0.3134000      -1.627100    
 H   -4.724900       2.916500       1.169800    
 H   -6.018000       1.668900     -0.5365000    
 H    6.763600       1.268800       1.279800    
 H    7.805500       1.296100      2.4900001E-02


%chk=000004298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004298

0 1
S 0.944334 -1.542747 0.746325
O 1.185176 -0.916154 2.225643
O 1.090213 -3.120413 0.385444
N 2.171757 -0.709120 -0.331607
N 7.260676 0.920627 0.068998
C 3.536726 1.276795 -0.878689
C 2.208128 0.769721 -0.271145
C 4.787278 0.829097 -0.093893
C -0.795801 -1.001566 0.203488
C -2.688709 0.495172 0.448828
C -1.379278 0.074214 0.856543
C 6.091707 1.377754 -0.706512
C -3.355285 -0.217778 -0.625276
C -1.423767 -1.737043 -0.839467
C -2.698173 -1.335560 -1.243106
C -3.355062 1.598151 1.077451
C -4.663371 0.207404 -1.029524
C -4.629358 1.987947 0.659620
C -5.287470 1.288197 -0.402070
H 3.481889 2.384807 -0.908540
H 3.614035 0.940403 -1.933890
H 2.161116 1.049075 0.797533
H 1.347024 1.242468 -0.794672
H 4.699093 1.178596 0.956857
H 4.839091 -0.272736 -0.054759
H 2.111300 -1.131645 -1.272705
H -0.859542 0.569976 1.684498
H 6.195014 0.991074 -1.739954
H 6.008030 2.492144 -0.789106
H -0.923680 -2.609330 -1.272224
H -3.217080 -1.883730 -2.037778
H -2.850798 2.130010 1.892438
H -5.170285 -0.330802 -1.839012
H -5.132996 2.830989 1.144436
H -6.287380 1.604625 -0.717803
H 7.223630 1.168194 1.062809
H 8.168718 1.140084 -0.350379


