%chk=000036021.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036021

0 1
 O   -2.805600       1.421200      0.8514000    
 O   -2.164900     -0.1286000       2.407900    
 N   0.8268000     -0.4336000       1.004700    
 N   0.6084000      0.4966000      -1.001900    
 C   -1.515400     -0.4071000      6.4000003E-02
 C   -2.302300      0.2343000      -1.082600    
 C   -2.597600       1.621400     -0.5514000    
 C   -1.767900      -1.918200      0.1370000    
 C  -1.4400000E-02 -9.5500000E-02 -1.3400000E-02
 C   -2.179400      0.2701000       1.252100    
 C   -3.832600       2.249200      -1.169700    
 C   -1.158500      -2.631100      -1.032000    
 C    2.088300     -3.0300001E-02  0.6491000    
 C    1.925600      0.5473000     -0.6071000    
 C    3.320000     -0.1184000       1.298500    
 C    3.047600       1.073400      -1.269400    
 C  -0.1987000      -3.556800     -0.9254000    
 C    4.426100      0.4101000      0.6248000    
 C    4.294500      0.9960000     -0.6364000    
 H   -3.245600     -0.3045000      -1.245800    
 H   -1.775800      0.2644000      -2.042200    
 H   -1.740400       2.293600     -0.6752000    
 H   -2.844600      -2.132000      0.1589000    
 H   -1.369800      -2.326800       1.075900    
 H   -4.723100       1.639200     -0.9825000    
 H   -4.026100       3.228400     -0.7189000    
 H   -3.713000       2.377800      -2.249500    
 H   0.5723000     -0.8969000       1.867100    
 H   -1.538200      -2.394500      -2.022600    
 H    3.419600     -0.5736000       2.277400    
 H    2.955700       1.530400      -2.249600    
 H   0.1942000      -4.044900      -1.810600    
 H   0.2118000      -3.841000      3.7200000E-02
 H    5.406500      0.3638000       1.092500    
 H    5.172600       1.398200      -1.135100    


%chk=000036021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036021

0 1
O -2.828714 1.394930 0.937161
O -1.907944 -0.113594 2.444228
N 0.801466 -0.295084 1.073960
N 0.669766 0.392357 -1.099242
C -1.498505 -0.391903 -0.011175
C -2.256287 0.319093 -1.159493
C -2.695404 1.672077 -0.553613
C -1.742772 -1.938827 0.051243
C -0.014558 -0.075546 -0.041860
C -2.082736 0.269120 1.269499
C -4.021085 2.234279 -1.050089
C -1.138077 -2.681742 -1.120827
C 2.110603 0.053373 0.713607
C 2.011810 0.479884 -0.657229
C 3.332728 0.046710 1.416150
C 3.167194 0.905978 -1.349763
C -0.311450 -3.749953 -1.009556
C 4.474245 0.477341 0.706274
C 4.393720 0.898778 -0.654079
H -3.146787 -0.270677 -1.445152
H -1.610165 0.463093 -2.039101
H -1.883204 2.417881 -0.635466
H -2.841468 -2.094303 0.073897
H -1.345788 -2.332276 1.004887
H -4.836692 1.505390 -0.900226
H -4.280115 3.164923 -0.517818
H -3.947022 2.461159 -2.129368
H 0.455147 -0.576089 1.993307
H -1.410632 -2.317001 -2.122583
H 3.404029 -0.275339 2.460058
H 3.099634 1.228784 -2.393053
H 0.088814 -4.260150 -1.892473
H -0.006388 -4.142182 -0.031216
H 5.446246 0.487740 1.211617
H 5.306493 1.223376 -1.165308


