%chk=000149954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149954

0 1
 S  -0.8762000      0.5605000     -0.5712000    
 O   -4.130300      0.6015000      0.5057000    
 O    5.271300       2.322500       1.173600    
 O    6.345700       1.842100     -0.6890000    
 O    4.472900      -2.667400      -1.842200    
 N    3.068500      0.4307000      0.3816000    
 N    3.959000      -1.826400      2.3900000E-02
 N   -5.851200      -1.623400      0.5534000    
 N    5.718300       1.525100      0.3341000    
 N    4.778900      -2.611900     -0.6451000    
 C    4.212700     -0.3643000     -0.1269000    
 C    1.822000      0.1175000     -0.3097000    
 C    5.507000      8.3600000E-02  0.5806000    
 C   0.6830000      0.9404000      0.2795000    
 C   -1.966100       1.638500      0.3860000    
 C   -3.384700       1.544800     -9.7000003E-02
 C   -6.374300     -0.2532000      0.4188000    
 C   -5.357300      0.6875000     -7.1900003E-02
 C    3.812800      -2.249100       1.420800    
 C   -4.073000       2.235400      -1.036400    
 C   -5.373500       1.677300      -1.026900    
 C   -5.384300      -2.110500     -0.7400000    
 C   -6.881200      -2.501300       1.098200    
 H    4.306400     -0.1275000      -1.197400    
 H    3.261200       1.426400      0.2826000    
 H    1.574400     -0.9452000     -0.2059000    
 H    1.928900      0.3382000      -1.379200    
 H    5.469500     -4.6799999E-02   1.667800    
 H    6.391100     -0.4380000      0.1979000    
 H   0.8895000       2.010800      0.1710000    
 H   0.5671000      0.7160000       1.345700    
 H   -1.621300       2.674000      0.2945000    
 H   -1.919200       1.357700       1.443700    
 H   -7.250000     -0.2352000     -0.2437000    
 H   -6.711400      0.1028000       1.400700    
 H    4.756000      -2.205200       1.978200    
 H    3.068600      -1.649400       1.955800    
 H    3.450700      -3.284300       1.469200    
 H   -3.706500       3.038900      -1.658700    
 H   -6.215700       1.962700      -1.640900    
 H   -4.515400      -1.554600      -1.107400    
 H   -6.168600      -2.078100      -1.505700    
 H   -5.047700      -3.150700     -0.6532000    
 H   -6.487500      -3.513800       1.242300    
 H   -7.761200      -2.565000      0.4476000    
 H   -7.206400      -2.150900       2.084100    


%chk=000149954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149954

0 1
S -0.761250 0.611540 -0.662554
O -4.076886 0.566725 0.626704
O 5.075392 2.533029 0.158600
O 6.626942 1.750586 -1.326957
O 5.616990 -2.571721 -1.175905
N 3.227509 0.284065 0.417069
N 4.432477 -1.831232 0.584550
N -6.129224 -1.755650 0.200528
N 5.833989 1.601504 -0.331286
N 5.026387 -2.895520 -0.072251
C 4.380476 -0.455846 -0.042227
C 1.990066 0.162181 -0.386211
C 5.728208 0.234615 0.320589
C 0.818103 0.815835 0.362183
C -1.903468 1.718990 0.424221
C -3.324218 1.598550 0.020561
C -6.390192 -0.349839 0.600260
C -5.377850 0.625547 0.082980
C 3.792247 -2.134194 1.871957
C -4.133005 2.285966 -0.875252
C -5.439200 1.667987 -0.832220
C -6.176935 -1.962047 -1.259443
C -6.991635 -2.699209 0.936096
H 4.378017 -0.656615 -1.137688
H 3.446967 1.242507 0.716677
H 1.774801 -0.912536 -0.540229
H 2.092085 0.623850 -1.394739
H 5.794723 0.399220 1.408445
H 6.565604 -0.370507 -0.053644
H 1.001763 1.897597 0.503450
H 0.673987 0.339438 1.347118
H -1.551479 2.756092 0.306591
H -1.762854 1.388761 1.466866
H -7.396681 0.007579 0.256343
H -6.397268 -0.318584 1.707251
H 4.253612 -1.553958 2.691146
H 2.718219 -1.891350 1.844686
H 3.936920 -3.210204 2.056002
H -3.826234 3.127717 -1.493023
H -6.317523 1.957297 -1.406152
H -5.454242 -1.292812 -1.756175
H -7.189726 -1.768976 -1.700143
H -5.894080 -3.004019 -1.490670
H -6.712092 -3.734702 0.672986
H -8.084075 -2.573081 0.718107
H -6.842868 -2.571875 2.023703


