%chk=000021272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021272

0 1
 S   6.0999999E-03 -0.7945000     -1.9999999E-04
 O   0.1814000      -1.513400       1.250400    
 O  -0.1883000      -1.515600      -1.246600    
 N    3.794900      0.4425000     -0.5846000    
 N   -3.795000      0.4446000      0.5837000    
 C    4.762100      0.3797000      0.5016000    
 C   -4.762100      0.3784000     -0.5023000    
 C    5.025400     -0.3021000     -0.8092000    
 C   -5.024200     -0.3020000      0.8095000    
 C    2.671900     -0.4675000     -0.3953000    
 C   -2.670400     -0.4637000      0.3958000    
 C    1.375100      0.3012000     -0.2039000    
 C   -1.374900      0.3071000      0.2033000    
 C    5.578000       1.554300      0.8948000    
 C   -5.580100       1.551000     -0.8972000    
 H    4.538300     -0.2436000       1.359700    
 H   -4.537100     -0.2457000      -1.359400    
 H    5.722200      0.1503000      -1.502700    
 H    4.984300      -1.383800     -0.8396000    
 H   -5.721700      0.1502000       1.502400    
 H   -4.981000      -1.383500      0.8416000    
 H    2.809400      -1.166000      0.4415000    
 H    2.570100      -1.093600      -1.292200    
 H   -2.806200      -1.163600     -0.4400000    
 H   -2.567200      -1.088300       1.293600    
 H    1.162200      0.9332000      -1.072700    
 H    1.424400      0.9319000      0.6901000    
 H   -1.160600      0.9395000       1.071300    
 H   -1.422900      0.9352000     -0.6925000    
 H    6.526500       1.227600       1.332600    
 H    5.046200       2.149300       1.644200    
 H    5.803400       2.206700      4.4300001E-02
 H   -5.806600       2.204200     -4.7699999E-02
 H   -6.528000       1.221800      -1.334600    
 H   -5.049400       2.145800      -1.647400    


%chk=000021272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021272

0 1
S 0.001292 -0.969329 -0.016777
O 0.108135 -1.780796 1.405886
O -0.103818 -1.782956 -1.438146
N 3.883632 0.341485 -0.718264
N -3.872966 0.348213 0.719554
C 4.789998 0.424841 0.496544
C -4.797664 0.423308 -0.481848
C 5.248021 -0.315352 -0.751574
C -5.237278 -0.306823 0.778778
C 2.733711 -0.600310 -0.616141
C -2.725466 -0.595347 0.607725
C 1.532541 0.211879 -0.124641
C -1.531426 0.211000 0.090320
C 5.323648 1.795339 0.865687
C -5.335286 1.791632 -0.853236
H 4.507212 -0.218661 1.345088
H -4.528732 -0.226982 -1.329721
H 5.971246 0.153774 -1.426616
H 5.293283 -1.412371 -0.708531
H -5.949616 0.168173 1.461265
H -5.284280 -1.404096 0.744873
H 2.918986 -1.460258 0.069677
H 2.519548 -1.004208 -1.622078
H -2.922325 -1.461561 -0.066931
H -2.495639 -0.990403 1.613746
H 1.252314 1.004446 -0.836509
H 1.644491 0.599013 0.900357
H -1.245122 1.014617 0.787319
H -1.654443 0.582710 -0.939069
H 6.248859 1.708997 1.465194
H 4.582008 2.363772 1.456894
H 5.549532 2.376893 -0.044634
H -5.546887 2.380240 0.055981
H -6.269430 1.702010 -1.438229
H -4.601878 2.354710 -1.459643


