%chk=000137405.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137405

0 1
 S   -3.231800      0.3780000      -2.918700    
 S   -1.487400       1.512900       1.941200    
 O    2.920800       2.499500       1.996700    
 O   -7.204900      -1.504200       1.308900    
 N    2.821800       2.158600     -0.2822000    
 N    5.319800      -1.784100     -2.9500000E-02
 N   -3.423000      0.7217000     -0.3638000    
 N   -5.322500      -1.917500      1.5000000E-03
 N   0.1519000       1.584000     -5.6400001E-02
 N    6.819600      -3.555300     -0.6488000    
 N    5.881900      -3.496500       1.427800    
 C    5.058400       1.139600     -0.4326000    
 C    4.642600      8.0700003E-02  -1.460800    
 C    4.215500       2.407800     -0.5265000    
 C    5.479900      -1.189800      -1.357600    
 C   -5.545800      7.1099997E-02  -1.451500    
 C   -5.835400      -1.427300      -1.249700    
 C   -4.104700      0.4026000      -1.441500    
 C    2.262900       2.224500      0.9937000    
 C   0.8298000       1.911100       1.081800    
 C   -2.115100      0.9657000     -0.7250000    
 C   -1.097600       1.349700      0.2780000    
 C   -1.816900      0.8311000      -2.061900    
 C   0.1451000       1.933000       2.257400    
 C    5.978600      -2.876100      0.2044000    
 C   -6.054200      -1.914400       1.180900    
 C   -5.289300      -2.506300       2.334300    
 H    4.974400      0.7310000      0.5814000    
 H    6.112000       1.401600     -0.5871000    
 H    3.587200     -0.1819000      -1.319300    
 H    4.740000      0.4933000      -2.471900    
 H    4.583100       3.148800      0.1917000    
 H    4.296900       2.845100      -1.527300    
 H    5.144300      -1.890600      -2.131300    
 H    6.532000     -0.9420000      -1.544200    
 H    2.230000       1.916100      -1.071800    
 H   -6.038500      0.6395000     -0.6518000    
 H   -6.014500      0.3989000      -2.387600    
 H   -5.371700      -2.021200      -2.044900    
 H   -6.916900      -1.597800      -1.285400    
 H  -0.8745000      0.9683000      -2.574100    
 H   -4.374800      -2.283700      1.1800000E-02
 H   0.4855000       2.162200       3.257400    
 H   -5.810300      -2.291000       3.271200    
 H   -5.213900      -3.589300       2.204100    
 H   -4.285700      -2.074100       2.384900    
 H    7.004800      -3.236700      -1.593300    
 H    7.285000      -4.407500     -0.3551000    
 H    6.389500      -4.350500       1.631000    
 H    5.298500      -3.114200       2.164100    


%chk=000137405-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000137405

0 1
S -1.619025 -2.958045 -2.462511
S -1.494286 0.605337 1.546048
O 2.481389 2.432076 2.776316
O -7.565794 -1.023846 0.123979
N 3.545934 1.260399 1.069875
N 4.255618 -0.364266 -1.024773
N -2.442263 -1.464560 -0.425279
N -5.249961 -1.189595 0.315443
N 0.880340 -0.037644 0.508337
N 4.623155 -2.548235 -1.990033
N 2.675371 -2.067791 -0.748507
C 5.999016 1.449245 0.546559
C 5.817578 1.549841 -0.996544
C 4.807326 1.965176 1.379115
C 5.471615 0.191427 -1.648935
C -4.367157 -2.697900 -1.488043
C -5.183153 -2.568309 -0.174963
C -2.922706 -2.304712 -1.323585
C 2.446952 1.582825 1.813529
C 1.116877 0.957600 1.476861
C -1.049340 -1.261034 -0.536508
C -0.414538 -0.333756 0.392522
C -0.434145 -1.967191 -1.566059
C -0.022081 1.409807 2.134658
C 3.895322 -1.611332 -1.252850
C -6.447584 -0.502249 0.429921
C -6.331672 0.925205 0.958548
H 6.211292 0.397558 0.823055
H 6.880487 2.041896 0.857761
H 5.017247 2.277233 -1.232956
H 6.745092 1.929596 -1.467092
H 5.021988 1.862616 2.460613
H 4.664977 3.052113 1.204984
H 5.332194 0.330316 -2.744452
H 6.355333 -0.479712 -1.514618
H 3.585315 0.578404 0.246707
H -4.833102 -2.058776 -2.264375
H -4.428654 -3.740251 -1.853227
H -4.739490 -3.225144 0.597832
H -6.223295 -2.891513 -0.354898
H 0.623323 -1.971167 -1.832685
H -4.353444 -0.740602 0.525145
H -0.040904 2.167306 2.914117
H -6.816813 1.613827 0.245958
H -6.883205 1.001308 1.911917
H -5.289218 1.248782 1.122245
H 5.546166 -2.311288 -2.341186
H 4.184713 -3.402457 -2.323678
H 2.615202 -3.031780 -0.417635
H 2.114410 -1.352339 -0.244054


