%chk=000096686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096686

0 1
 S   -3.590900      -1.762700      0.9216000    
 S   -1.218100      -3.557000      0.4210000    
 O    3.568000      0.4555000       2.735900    
 O    1.446700       1.029300       2.154800    
 N   -1.514000     -0.9357000     -0.4254000    
 N   0.7444000     -0.3184000     -0.1718000    
 C   -2.414600      0.1636000     -0.3944000    
 C  -0.2345000     -0.8007000      -1.113800    
 C   -3.594200     -0.1104000      0.2963000    
 C   -1.975600      -2.079000      0.2384000    
 C    2.078300     -0.1137000     -0.4866000    
 C   -2.216100       1.415400     -0.9683000    
 C   -4.593900      0.8412000      0.4318000    
 C    3.002900      0.3585000      0.4658000    
 C   -3.216400       2.382800     -0.8382000    
 C   -4.398300       2.097400     -0.1425000    
 C    2.544700     -0.3794000      -1.788600    
 C    4.341800      0.5572000      0.1287000    
 C    3.883700     -0.1810000      -2.125800    
 C    4.782000      0.2874000      -1.167100    
 C    2.574000      0.6497000       1.828300    
 H   5.9900001E-02  -1.788800      -1.483500    
 H  -0.3341000     -0.1515000      -1.989300    
 H   0.4296000     -0.1270000      0.7714000    
 H   -1.310400       1.677500      -1.503300    
 H   -5.511000      0.6250000      0.9701000    
 H   -3.075900       3.366600      -1.278000    
 H   -5.166200       2.860300     -4.9500000E-02
 H    1.883600     -0.7449000      -2.569600    
 H    5.064300      0.9337000      0.8480000    
 H    4.227000     -0.3900000      -3.134700    
 H    5.823800      0.4449000      -1.430900    
 H    3.271800      0.6532000       3.650000    


%chk=000096686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096686

0 1
S -3.940939 -1.808529 0.618055
S -1.700197 -3.901352 0.087014
O 3.399568 1.225554 2.669946
O 1.339279 0.224044 2.355040
N -1.599781 -1.170553 -0.427435
N 0.719931 -0.625996 -0.096424
C -2.301655 0.060441 -0.360998
C -0.246178 -1.255128 -0.996204
C -3.608117 -0.076940 0.177180
C -2.267130 -2.311281 0.039337
C 1.982532 -0.219642 -0.485751
C -1.824828 1.325384 -0.769768
C -4.462640 1.030828 0.311345
C 2.875200 0.412112 0.464912
C -2.683749 2.438244 -0.639691
C -3.988952 2.297049 -0.106136
C 2.452072 -0.400865 -1.826929
C 4.162683 0.847992 0.044194
C 3.726947 0.045129 -2.209015
C 4.594227 0.678849 -1.279987
C 2.451816 0.590187 1.857280
H -0.039461 -2.332587 -1.154546
H -0.246109 -0.741006 -1.977730
H 0.502981 -0.537289 0.911699
H -0.808635 1.446614 -1.154830
H -5.469033 0.919266 0.726063
H -2.328712 3.426429 -0.949679
H -4.637611 3.173690 -0.010859
H 1.827489 -0.917103 -2.561624
H 4.810501 1.319351 0.788489
H 4.057675 -0.111979 -3.242195
H 5.587120 1.018055 -1.589254
H 3.026004 1.290035 3.589301


