%chk=000107238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107238

0 1
 O   -2.407800      -1.099100      0.3985000    
 N  -0.4030000      2.3700001E-02 -8.6999997E-02
 N    2.474000      0.3634000     -3.4499999E-02
 C   0.4833000      -1.185600      6.7599997E-02
 C   0.2258000       1.368200      2.5699999E-02
 C    1.917800     -0.9175000     -0.4773000    
 C    1.633000       1.432600     -0.5773000    
 C   0.5545000      -1.609500       1.548100    
 C  -3.5399999E-02  -2.393600     -0.7562000    
 C   0.2304000       1.864800       1.480600    
 C   -1.807700     -0.1123000     -3.3599999E-02
 C    3.853000      0.5121000     -0.4998000    
 C   -2.624300       1.038000     -0.5777000    
 C   -4.093600      0.7147000     -0.4769000    
 H  -0.3808000       2.076600     -0.5467000    
 H    2.576600      -1.734700     -0.1528000    
 H    1.906400     -0.9513000      -1.577000    
 H    1.567400       1.359600      -1.671800    
 H    2.071800       2.413400     -0.3532000    
 H    1.034700     -0.8517000       2.171400    
 H  -0.4408000      -1.792400       1.965900    
 H    1.133200      -2.533300       1.663900    
 H  -0.9522000      -2.822100     -0.3417000    
 H  -0.2433000      -2.101000      -1.791800    
 H   0.7026000      -3.204600     -0.7764000    
 H   0.5411000       2.914500       1.522400    
 H  -0.7678000       1.795300       1.925000    
 H   0.9157000       1.297400       2.114600    
 H    4.273800       1.462500     -0.1533000    
 H    3.931000      0.4787000      -1.592700    
 H    4.485500     -0.2802000     -8.4399998E-02
 H   -2.432600       1.941000      8.9999996E-03
 H   -2.343000       1.217700      -1.620200    
 H   -4.689600       1.545300     -0.8690000    
 H   -4.401000      0.5473000      0.5612000    
 H   -4.350500     -0.1794000      -1.055600    


%chk=000107238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107238

0 1
O -2.349658 -1.240085 0.244393
N -0.390388 -0.014764 -0.172962
N 2.463190 0.366753 -0.071779
C 0.490004 -1.234488 0.053484
C 0.203135 1.361223 -0.069872
C 1.924839 -0.944393 -0.478986
C 1.618022 1.412931 -0.676017
C 0.536515 -1.594414 1.562820
C -0.014713 -2.448363 -0.774496
C 0.221068 1.899703 1.386658
C -1.783817 -0.146091 -0.073360
C 3.893730 0.519171 -0.401340
C -2.644580 1.092795 -0.410631
C -4.146281 0.753493 -0.430409
H -0.427545 2.027892 -0.683849
H 2.582842 -1.741473 -0.087464
H 1.913240 -1.033859 -1.597963
H 1.557620 1.293957 -1.789762
H 2.053308 2.406950 -0.464479
H 1.084395 -0.825812 2.133418
H -0.487852 -1.692952 1.958461
H 1.053285 -2.562549 1.701843
H -0.930299 -2.876651 -0.345896
H -0.224719 -2.147782 -1.817101
H 0.777998 -3.220702 -0.790680
H 0.400597 2.991522 1.383694
H -0.736829 1.711554 1.902521
H 1.030767 1.418732 1.959920
H 4.254272 1.502040 -0.048881
H 4.105396 0.445068 -1.498242
H 4.478159 -0.264721 0.112289
H -2.456470 1.896065 0.329151
H -2.334435 1.498340 -1.394674
H -4.740706 1.658879 -0.652003
H -4.467456 0.343215 0.541348
H -4.368434 -0.012685 -1.192155


