%chk=000029711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029711

0 1
 O  -0.4219000      4.6000000E-02   1.169000    
 N   -2.241500       2.308200     -0.5523000    
 N    1.097900      -1.784300     -0.5803000    
 C   0.2032000      0.9039000      0.2041000    
 C  -0.1163000       2.332700      0.6500000    
 C    1.669500      0.5378000      0.1058000    
 C   -1.620600       2.552100      0.7441000    
 C    2.031100     -0.7575000     -0.3224000    
 C  -0.9709000      -1.072300      0.5995000    
 C  -0.2568000      -1.943400     -0.2343000    
 C    2.688700       1.468600      0.3815000    
 C    3.398300      -1.074600     -0.4591000    
 C    4.035800       1.133200      0.2413000    
 C    4.391900     -0.1388000     -0.1817000    
 C   -2.299100      -1.338900      0.9564000    
 C   -1.722700       3.239500      -1.555700    
 C   -3.697700       2.424500     -0.4567000    
 C  -0.9422000      -3.063200     -0.7436000    
 C   -2.951900      -2.456600      0.4455000    
 C   -2.275000      -3.316800     -0.4112000    
 H  -0.2228000      0.7627000     -0.8003000    
 H   0.3664000       3.078600      9.8000001E-03
 H   0.2870000       2.496200       1.659300    
 H   -1.813000       3.577200       1.088500    
 H   -2.049000       1.889500       1.505600    
 H    2.459600       2.478300      0.7096000    
 H    1.489200      -2.574200      -1.085800    
 H    3.697900      -2.070800     -0.7797000    
 H    4.803800       1.869100      0.4606000    
 H   -2.833000     -0.6686000       1.625200    
 H    5.438400     -0.4056000     -0.2924000    
 H  -0.6851000       3.023500      -1.826700    
 H   -1.799800       4.285000      -1.235500    
 H   -2.284400       3.137900      -2.492500    
 H   -4.167400       2.188500      -1.418100    
 H   -4.013200       3.429700     -0.1545000    
 H   -4.094300       1.705100      0.2685000    
 H  -0.4311000      -3.762000      -1.403600    
 H   -3.984900      -2.655100      0.7144000    
 H   -2.778000      -4.190600     -0.8150000    


%chk=000029711-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029711

0 1
O -0.487791 0.010556 1.255541
N -2.128767 2.625277 -0.728000
N 1.004677 -1.752648 -0.673001
C 0.194015 0.923472 0.252371
C -0.098000 2.348120 0.735843
C 1.650615 0.533516 0.124976
C -1.604761 2.673544 0.659462
C 1.972449 -0.773773 -0.355185
C -1.022270 -1.174164 0.717360
C -0.312011 -1.994901 -0.211081
C 2.710527 1.418680 0.431930
C 3.335787 -1.121588 -0.576188
C 4.062869 1.066075 0.231340
C 4.369991 -0.210785 -0.292244
C -2.308598 -1.552912 1.160712
C -1.751514 3.803654 -1.533108
C -3.580712 2.360180 -0.781578
C -0.953636 -3.178430 -0.677002
C -2.917024 -2.743551 0.710808
C -2.233191 -3.553890 -0.225803
H -0.332904 0.774500 -0.713009
H 0.476482 3.067476 0.122209
H 0.242538 2.460495 1.783003
H -1.790658 3.669682 1.136246
H -2.146178 1.917788 1.255684
H 2.475407 2.414158 0.821013
H 1.378418 -2.528610 -1.224204
H 3.579906 -2.123033 -0.954269
H 4.861226 1.775261 0.472376
H -2.808550 -0.893635 1.878350
H 5.411621 -0.503243 -0.465360
H -0.654242 3.921474 -1.553281
H -2.193069 4.757857 -1.145384
H -2.092469 3.667165 -2.575038
H -3.898994 2.247947 -1.834039
H -4.200351 3.171625 -0.321200
H -3.803949 1.414659 -0.256354
H -0.423227 -3.818292 -1.395289
H -3.908048 -3.028575 1.078166
H -2.689515 -4.476633 -0.599477


