%chk=000072559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072559

0 1
 S    1.016900     -0.1606000      -1.826400    
 S   -1.014500      0.1630000      -1.825100    
 O    6.236800      0.7997000      -1.161800    
 O   -6.232800     -0.8078000      -1.162500    
 O    2.055800      0.8480000       1.468600    
 O   -2.053400     -0.8444000       1.470500    
 N    3.979600      0.1008000      0.3727000    
 N   -3.978100     -0.1025000      0.3725000    
 C    4.714000     -0.9227000     -0.3809000    
 C    4.764000       1.291800      0.6949000    
 C   -4.714200      0.9187000     -0.3826000    
 C   -4.760200      -1.294700      0.6957000    
 C    5.415100     -0.2935000      -1.578800    
 C    5.451700       1.828100     -0.5521000    
 C   -5.413200      0.2865000      -1.580300    
 C   -5.446100      -1.833800     -0.5512000    
 C    2.668100     -1.2100000E-02  0.8373000    
 C   -2.667200      1.3800000E-02  0.8378000    
 C    1.942200      -1.259900      0.5650000    
 C   -1.943700       1.262800      0.5646000    
 C    1.175900      -1.440700     -0.5863000    
 C   -1.176500       1.440200     -0.5904000    
 C    2.039200      -2.284200       1.506700    
 C   -2.043300       2.288300       1.505000    
 C   0.5066000      -2.646500     -0.7961000    
 C  -0.5100000       2.651100     -0.7972000    
 C    1.369600      -3.489900       1.296900    
 C   -1.376100       3.495000       1.294300    
 C   0.6034000      -3.670900      0.1456000    
 C  -0.6094000       3.676400      0.1433000    
 H    4.066900      -1.737500     -0.7105000    
 H    5.455400      -1.338800      0.3114000    
 H    5.511400      0.9801000       1.433900    
 H    4.138200       2.065200       1.150300    
 H   -4.068600       1.734400     -0.7128000    
 H   -5.457000       1.334000      0.3088000    
 H   -5.508800     -0.9837000       1.433900    
 H   -4.133000      -2.066300       1.152300    
 H    4.691500      6.2300000E-02  -2.322000    
 H    6.059500      -1.031500      -2.066400    
 H    6.122300       2.651500     -0.2878000    
 H    4.723800       2.206900      -1.279400    
 H   -4.688400     -6.8700001E-02  -2.322500    
 H   -6.058800       1.022700      -2.069200    
 H   -6.115100      -2.658300     -0.2864000    
 H   -4.716800      -2.212000      -1.277600    
 H    2.633300      -2.156400       2.408000    
 H   -2.637700       2.160400       2.406100    
 H  -8.8000000E-02  -2.821100      -1.689400    
 H   8.5299999E-02   2.826700      -1.690100    
 H    1.445400      -4.287800       2.029700    
 H   -1.454000       4.293600       2.026200    
 H   8.4200002E-02  -4.610600     -1.8600000E-02
 H  -9.2100002E-02   4.616900     -2.1700000E-02


%chk=000072559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072559

0 1
S 1.130403 -0.337243 -1.471653
S -1.132039 0.342039 -1.468498
O 5.764365 0.019105 -2.632300
O -5.768643 -0.009434 -2.623505
O 2.923370 1.868676 0.946049
O -2.922572 -1.873124 0.943225
N 4.323278 0.380113 -0.171670
N -4.323687 -0.379734 -0.166540
C 4.763751 -0.970659 -0.582192
C 5.166904 1.473373 -0.704439
C -4.763736 0.972739 -0.571893
C -5.168988 -1.470614 -0.701545
C 4.879040 -1.038890 -2.120561
C 5.254872 1.346776 -2.238048
C -4.881521 1.046117 -2.109840
C -5.259552 -1.338826 -2.234547
C 3.211824 0.675267 0.604065
C -3.210910 -0.678339 0.605980
C 2.348045 -0.486858 1.054171
C -2.346213 0.481769 1.059503
C 1.309243 -1.002788 0.227338
C -1.308329 1.000736 0.233451
C 2.510074 -1.009797 2.360194
C -2.506542 0.999589 2.367784
C 0.432586 -2.000786 0.716736
C -0.430827 1.996588 0.725727
C 1.639804 -2.010344 2.846207
C -1.635363 1.997908 2.856741
C 0.592586 -2.495856 2.027558
C -0.589030 2.486399 2.038736
H 4.054412 -1.728963 -0.213744
H 5.757735 -1.172885 -0.134520
H 6.180768 1.399601 -0.263800
H 4.711339 2.431172 -0.402202
H -4.053143 1.729213 -0.202085
H -5.756817 1.174319 -0.121932
H -6.182021 -1.397650 -0.258869
H -4.713530 -2.429736 -0.403360
H 3.869586 -0.943838 -2.577309
H 5.340285 -1.988376 -2.437906
H 5.973462 2.070931 -2.654726
H 4.252362 1.512444 -2.686255
H -3.872931 0.951667 -2.568629
H -5.342464 1.997043 -2.423288
H -5.979471 -2.061002 -2.652367
H -4.257985 -1.503814 -2.685109
H 3.304097 -0.609013 2.999991
H -3.299910 0.596490 3.006938
H -0.395241 -2.357071 0.097302
H 0.396281 2.355264 0.106715
H 1.766098 -2.394394 3.864248
H -1.760271 2.377884 3.876482
H -0.109961 -3.245087 2.405407
H 0.114226 3.233897 2.418684


