%chk=000081296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081296

0 1
 S   -2.841200     -0.5489000       1.430700    
 S  -0.8665000      -2.674400      0.6876000    
 O   0.8875000       1.129400      0.5033000    
 O    2.776600      0.4581000     -0.6743000    
 N    2.951200       1.265100       1.493800    
 C   -1.141400     -0.8600000      0.8024000    
 C  -0.8698000     -0.1495000     -0.5071000    
 C   0.1299000      0.8050000     -0.5817000    
 C   -1.639900     -0.4790000      -1.609600    
 C   0.3670000       1.449900      -1.795700    
 C   -2.774800       1.252500       1.600900    
 C   0.8837000      -2.685400      0.2240000    
 C   -1.402800      0.1662000      -2.823500    
 C  -0.3995000       1.130500      -2.916500    
 C   -4.095600       1.787600       2.120600    
 C    1.382300      -4.108400      5.8899999E-02
 C    2.269200      0.9090000      0.3484000    
 C    4.384000       1.152500       1.637700    
 H  -0.4719000     -0.5152000       1.596000    
 H   -2.426800      -1.226000      -1.562500    
 H   -1.970400       1.520900       2.292800    
 H   -2.570100       1.715100      0.6314000    
 H    1.026100      -2.155700     -0.7219000    
 H    1.466300      -2.179200      0.9999000    
 H    1.131300       2.217800      -1.882400    
 H   -2.000000     -8.1600003E-02  -3.696000    
 H  -0.2180000       1.635800      -3.860600    
 H   -4.919900       1.558000       1.436800    
 H   -4.336200       1.376200       3.106900    
 H   -4.043200       2.876800       2.221100    
 H    1.288600      -4.678000      0.9899000    
 H   0.8363000      -4.637100     -0.7298000    
 H    2.441500      -4.102300     -0.2193000    
 H    2.416400       1.623400       2.279000    
 H    4.850000      0.7914000      0.7179000    
 H    4.779700       2.138500       1.892400    
 H    4.590600      0.4578000       2.455400    


%chk=000081296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081296

0 1
S -2.794692 -0.586294 1.556986
S -0.885817 -2.726218 0.640702
O 0.997590 1.124103 0.422823
O 2.978391 0.274563 -0.594095
N 2.978435 1.358347 1.497489
C -1.063962 -0.833572 0.798827
C -0.875303 -0.123974 -0.520627
C 0.183526 0.798713 -0.709048
C -1.738737 -0.366522 -1.621293
C 0.404489 1.446621 -1.943231
C -2.846299 1.315013 1.561661
C 0.987918 -2.795307 0.313705
C -1.539093 0.275035 -2.858878
C -0.460854 1.180347 -3.023206
C -4.170398 1.769845 2.193009
C 1.383192 -4.245230 -0.000617
C 2.407511 0.863784 0.351228
C 4.413857 1.238672 1.768070
H -0.323521 -0.495973 1.539149
H -2.563020 -1.073897 -1.481570
H -1.977155 1.674908 2.139138
H -2.754719 1.659423 0.517873
H 1.212167 -2.126123 -0.533751
H 1.503289 -2.422184 1.216095
H 1.244244 2.139669 -2.049588
H -2.214305 0.070335 -3.696677
H -0.296092 1.675667 -3.986050
H -5.036489 1.394144 1.619339
H -4.264601 1.411552 3.233578
H -4.222787 2.874408 2.204890
H 1.144526 -4.923073 0.838608
H 0.860927 -4.612381 -0.901752
H 2.471229 -4.302849 -0.188842
H 2.361939 1.821129 2.166038
H 4.880255 0.725124 0.912595
H 4.882618 2.233192 1.882293
H 4.601944 0.645807 2.682029


