%chk=000154706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154706

0 1
 S  -9.4200000E-02   2.243000      0.4862000    
 O   -1.122600       2.775200       1.367600    
 O   0.6427000       3.154400     -0.3757000    
 N    1.005600       1.318900       1.433700    
 N   -1.996000      0.1157000       1.348800    
 C  -0.8488000       1.019600     -0.5215000    
 C   -1.721900      8.6400002E-02  3.0900000E-02
 C   -2.297500     -0.8732000     -0.8280000    
 C    1.920200      0.4422000      0.7531000    
 C  -0.5419000       1.018500      -1.884500    
 C   -1.989100     -0.8745000      -2.199000    
 C   -1.112500      7.0400000E-02  -2.724500    
 C    1.889300     -0.9221000       1.015300    
 C   -3.176600      -1.812800     -0.2726000    
 C    2.776900      -1.771500      0.3545000    
 C    2.825100      0.9700000     -0.1599000    
 C    3.688500      -1.250000     -0.5635000    
 C    3.712700      0.1207000     -0.8207000    
 C   -3.461100      -1.785100       1.085100    
 C   -2.849700     -0.8088000       1.845200    
 C    2.750700      -3.237100      0.6295000    
 H   0.6374000      0.9515000       2.321000    
 H   0.1414000       1.741600      -2.319800    
 H   -2.430000      -1.612600      -2.865300    
 H  -0.8757000      6.4999998E-02  -3.784100    
 H    1.177700      -1.326600       1.731000    
 H   -3.644500      -2.571700     -0.8954000    
 H    2.885100       2.035500     -0.3562000    
 H    4.387400      -1.900600      -1.082500    
 H    4.427300      0.5275000      -1.530300    
 H   -4.138200      -2.504000       1.531100    
 H   -3.033600     -0.7381000       2.912200    
 H    3.105000      -3.809700     -0.2344000    
 H    3.387900      -3.469700       1.488400    
 H    1.732000      -3.578400      0.8436000    


%chk=000154706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154706

0 1
S 0.023894 2.245916 0.126930
O -0.951024 3.204627 0.991122
O 1.047129 2.881651 -0.967220
N 1.054021 1.216824 1.424059
N -1.704874 -0.091619 1.216570
C -1.044788 1.001746 -0.862596
C -1.829333 0.038812 -0.160883
C -2.721829 -0.791317 -0.947334
C 2.074863 0.390322 0.878887
C -1.062717 1.134217 -2.244520
C -2.754045 -0.639032 -2.371516
C -1.931482 0.291769 -3.009154
C 1.992098 -1.030059 0.967808
C -3.532976 -1.736423 -0.238961
C 3.054961 -1.852309 0.528424
C 3.221054 0.995799 0.293520
C 4.188951 -1.232207 -0.060730
C 4.262630 0.175557 -0.181821
C -3.428235 -1.831519 1.149604
C -2.488938 -0.996218 1.834545
C 2.989630 -3.362347 0.686164
H 0.274342 0.689236 1.876202
H -0.415597 1.877094 -2.723452
H -3.432622 -1.270308 -2.957104
H -1.952631 0.394660 -4.098538
H 1.094345 -1.487352 1.404988
H -4.226629 -2.375794 -0.796860
H 3.275504 2.085348 0.225444
H 5.015879 -1.854975 -0.423135
H 5.144962 0.636359 -0.639394
H -4.037581 -2.537872 1.720483
H -2.372628 -1.074710 2.921360
H 3.409273 -3.878880 -0.195735
H 3.571595 -3.694872 1.567498
H 1.951795 -3.712525 0.824644


