%chk=000040157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040157

0 1
 O   0.3733000       2.621000     -0.1325000    
 N   -2.147300      0.3694000      0.8872000    
 C   -1.992900      0.7849000     -0.5178000    
 C  -0.5469000      0.4967000     -0.9494000    
 C   -2.202900      -1.099400      0.7870000    
 C  -3.0900000E-02 -0.9298000     -0.5937000    
 C  -0.7507000      -1.571600      0.6116000    
 C   -2.963600     -0.1158000      -1.289800    
 C   -3.055000      -1.388200     -0.4515000    
 C    1.421000     -0.6851000     -0.2817000    
 C   0.4874000       1.426800     -0.3355000    
 C    1.701700      0.6640000     -7.9599999E-02
 C   -3.339800      0.9330000       1.515400    
 C    2.425800      -1.626800     -0.1241000    
 C    2.952400       1.127300      0.2820000    
 C    3.704200      -1.186400      0.2344000    
 C    3.964200      0.1799000      0.4381000    
 H   -2.218000       1.847200     -0.6681000    
 H  -0.4579000      0.6437000      -2.036100    
 H   -2.619200      -1.571900       1.684200    
 H  -0.1298000      -1.576000      -1.474400    
 H  -0.7234000      -2.663800      0.5042000    
 H  -0.2088000      -1.354100       1.543400    
 H   -2.631400     -0.3273000      -2.311400    
 H   -3.953200      0.3519000      -1.357400    
 H   -4.099900      -1.565300     -0.1706000    
 H   -2.707800      -2.265400      -1.007200    
 H   -3.268900       2.025900       1.544000    
 H   -3.409100      0.5961000       2.555600    
 H   -4.274500      0.6661000       1.011600    
 H    2.229200      -2.684600     -0.2642000    
 H    3.151000       2.182200      0.4323000    
 H    4.505600      -1.909100      0.3635000    
 H    4.964300      0.4991000      0.7186000    


%chk=000040157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040157

0 1
O 0.327566 2.703255 -0.166200
N -2.189401 0.375419 0.898257
C -2.014411 0.786434 -0.528575
C -0.557519 0.494510 -0.934920
C -2.219190 -1.117257 0.782666
C -0.034614 -0.944426 -0.593670
C -0.750830 -1.581119 0.649801
C -3.014276 -0.114978 -1.338569
C -3.085069 -1.432081 -0.496680
C 1.446443 -0.710740 -0.295969
C 0.485324 1.464039 -0.333845
C 1.716138 0.665763 -0.077777
C -3.378999 0.967593 1.549918
C 2.481231 -1.657234 -0.149727
C 2.997954 1.121361 0.303572
C 3.772146 -1.206698 0.219268
C 4.031002 0.171401 0.450347
H -2.203840 1.868579 -0.637602
H -0.474370 0.635246 -2.035403
H -2.656092 -1.553492 1.699351
H -0.167497 -1.619314 -1.460331
H -0.692632 -2.685002 0.583075
H -0.227183 -1.269593 1.571242
H -2.667631 -0.292935 -2.372146
H -4.005445 0.368171 -1.401219
H -4.125710 -1.671804 -0.215501
H -2.684534 -2.302490 -1.046898
H -3.263833 2.065454 1.571157
H -3.434064 0.611220 2.593903
H -4.351943 0.730303 1.053711
H 2.295526 -2.725095 -0.313570
H 3.169093 2.190395 0.470416
H 4.586534 -1.932051 0.331884
H 5.038327 0.491766 0.738134


