%chk=000132621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132621

0 1
 S   -4.348300      0.4239000     -0.9910000    
 N  -0.1563000     -0.1646000      4.1600000E-02
 N   -1.900900       1.697900      -1.057100    
 N   -2.680800      0.9862000       1.070100    
 N   -4.351800     -6.4300001E-02   2.605900    
 C   0.3865000       1.011100     -0.6286000    
 C    1.766400       1.337300     -8.5199997E-02
 C  -0.6441000       2.143100     -0.5228000    
 C    2.822600      0.4417000     -0.3629000    
 C    2.567500     -0.8001000      -1.184900    
 C    1.636400      -1.795900     -0.5236000    
 C   0.3819000      -1.445400      2.5500000E-02
 C    2.035100       2.470100      0.6983000    
 C    4.109500      0.6982000      0.1351000    
 C    2.056800      -3.142300     -0.4881000    
 C  -0.3890000      -2.471600      0.6138000    
 C    3.320200       2.716000       1.186500    
 C    4.356200       1.832200      0.9048000    
 C   -2.074800       1.814400      -2.515400    
 C    1.270600      -4.132900      9.4700001E-02
 C   4.5899998E-02  -3.796500      0.6497000    
 C   -2.864500       1.074300     -0.2237000    
 C   -3.762600      -1.253900      -1.328000    
 C   -3.582500      0.4212000       1.885200    
 H   0.4834000      0.7947000      -1.700800    
 H  -0.2880000       3.030300      -1.062600    
 H  -0.7726000       2.469800      0.5164000    
 H    2.170500     -0.5282000      -2.170800    
 H    3.531200      -1.281500      -1.398600    
 H  -0.9105000     -1.9400001E-02  0.7028000    
 H    1.258400       3.186100      0.9477000    
 H    4.928000      1.3400000E-02 -7.1699999E-02
 H    3.014400      -3.429200     -0.9178000    
 H   -1.357400      -2.237200       1.053500    
 H    3.510000       3.599400       1.789500    
 H    5.354500       2.023800       1.286700    
 H   -2.074200      0.8255000      -2.983300    
 H   -1.261800       2.390300      -2.971200    
 H   -3.006800       2.336500      -2.753500    
 H    1.616100      -5.162000      0.1142000    
 H  -0.5749000      -4.560200       1.108200    
 H   -4.539300      -1.806700      -1.862800    
 H   -3.546300      -1.775700     -0.3924000    
 H   -2.860300      -1.234800      -1.944300    


%chk=000132621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132621

0 1
S -4.523291 0.981533 -1.593951
N 0.043226 -0.441648 0.017919
N -1.859232 1.518545 -1.272629
N -2.777365 0.461728 0.588103
N -4.452507 -0.201292 2.368859
C 0.489198 0.804034 -0.631126
C 1.833262 1.284735 -0.067381
C -0.635254 1.858314 -0.497259
C 2.979608 0.491884 -0.371387
C 2.831369 -0.762299 -1.225663
C 2.023906 -1.875522 -0.540291
C 0.726484 -1.663581 0.038241
C 1.971337 2.419959 0.765783
C 4.235835 0.864196 0.161307
C 2.599487 -3.165977 -0.451103
C 0.077524 -2.761416 0.683052
C 3.232640 2.785935 1.287677
C 4.369807 2.006358 0.982807
C -1.847952 1.888431 -2.701937
C 1.948559 -4.249967 0.177561
C 0.674682 -4.032099 0.752216
C -2.934688 0.946639 -0.640063
C -5.387485 -0.581519 -0.971585
C -3.713459 0.127018 1.473884
H 0.628071 0.618369 -1.720615
H -0.267321 2.829738 -0.873578
H -0.926959 1.972243 0.560413
H 2.375692 -0.503903 -2.204013
H 3.834492 -1.159814 -1.460532
H -0.854483 -0.383474 0.514327
H 1.098626 3.028461 1.025860
H 5.115725 0.250468 -0.065697
H 3.595090 -3.319288 -0.887726
H -0.908905 -2.597217 1.135689
H 3.324468 3.668518 1.930269
H 5.351227 2.281800 1.384454
H -2.527927 1.239033 -3.274291
H -0.824558 1.760971 -3.093084
H -2.154080 2.941701 -2.849635
H 2.426017 -5.233896 0.224911
H 0.146612 -4.849436 1.256665
H -6.150147 -0.798244 -1.735205
H -5.849890 -0.408037 0.007944
H -4.663043 -1.406982 -0.920089


