%chk=000079723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079723

0 1
 S    5.265100     -0.4682000      5.9900001E-02
 S   -5.265200     -0.4681000     -5.8499999E-02
 O    5.668100      -1.923000     -0.5581000    
 O   -5.667200      -1.924500      0.5562000    
 O    5.341200     -0.5388000       1.507700    
 O    5.960200      0.5641000     -0.6873000    
 O   -5.343200     -0.5350000      -1.506500    
 O   -5.959200      0.5623000      0.6924000    
 N    1.422600      0.7107000     -0.2579000    
 N   -1.422300      0.7102000      0.2569000    
 C   0.7340000     -0.4959000      0.2168000    
 C   0.7340000       1.915900      0.2202000    
 C  -0.7344000     -0.4950000     -0.2220000    
 C  -0.7342000       1.916100     -0.2198000    
 C    2.821800      0.7102000      0.1648000    
 C   -2.821900      0.7107000     -0.1638000    
 C    3.567700     -0.4753000     -0.4249000    
 C   -3.567100     -0.4763000      0.4239000    
 H    1.167800      -1.403000     -0.2140000    
 H   0.7961000     -0.5820000       1.310100    
 H   0.7911000       1.991800       1.314600    
 H    1.217100       2.808900     -0.1947000    
 H  -0.7967000     -0.5776000      -1.315600    
 H   -1.168100      -1.403600      0.2058000    
 H   -1.217300       2.808500      0.1964000    
 H  -0.7914000       1.993700      -1.314100    
 H    2.901700      0.7052000       1.259800    
 H    3.307400       1.632000     -0.1800000    
 H   -2.903600      0.7085000      -1.258700    
 H   -3.307200       1.631700      0.1840000    
 H    3.533600     -0.4701000      -1.519200    
 H    3.182600      -1.429800     -5.6100000E-02
 H   -3.531400     -0.4739000       1.518200    
 H   -3.182500      -1.430000      5.2099999E-02
 H    5.311700      -2.704000     -7.2899997E-02
 H   -5.311400      -2.704200      6.8400003E-02


%chk=000079723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079723

0 1
S 5.511265 -0.354719 0.162666
S -5.511320 -0.354183 -0.163573
O 6.202981 -0.702132 -1.542982
O -6.201902 -0.709178 1.540984
O 5.668448 -1.666333 1.101181
O 6.051240 1.072380 0.706809
O -5.666527 -1.662588 -1.106876
O -6.053827 1.074013 -0.702249
N 1.426988 0.359909 0.141152
N -1.427119 0.360664 -0.141782
C 0.646041 -0.869305 0.415703
C 0.645956 1.588806 0.417729
C -0.646831 -0.868970 -0.416353
C -0.645412 1.589054 -0.418753
C 2.804374 0.342379 0.665416
C -2.804555 0.343748 -0.665949
C 3.699132 -0.174525 -0.474571
C -3.699357 -0.173618 0.473800
H 1.251513 -1.754789 0.149170
H 0.382218 -0.945061 1.498372
H 0.374882 1.667011 1.498362
H 1.254927 2.470277 0.147851
H -0.383070 -0.944844 -1.499029
H -1.252735 -1.754161 -0.149836
H -1.253878 2.470951 -0.149131
H -0.374311 1.666770 -1.499418
H 2.913012 -0.297761 1.568724
H 3.118798 1.363197 0.945397
H -2.913480 -0.295794 -1.569662
H -3.118682 1.364864 -0.945189
H 3.784008 0.528046 -1.315713
H 3.452495 -1.190551 -0.816941
H -3.784480 0.528680 1.315149
H -3.452503 -1.189668 0.815935
H 7.181564 -0.886391 -1.450327
H -7.180353 -0.893981 1.448035


