%chk=000122975.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122975

0 1
 O   -2.843800     -0.3734000     -0.8199000    
 N    1.941000     -0.6117000     -0.2000000    
 N   0.8572000     -0.2774000      0.5279000    
 C   -2.381700      0.2938000      0.3558000    
 C   -1.447200     -0.6374000       1.149000    
 C    3.055700      0.3184000     -0.1264000    
 C  -0.1896000      -1.035800      0.3852000    
 C   -3.610600      0.6344000       1.206400    
 C   -1.689500       1.584200     -8.5800000E-02
 C    4.129400     -0.1257000      -1.125300    
 C    2.547900       1.718300     -0.4879000    
 C    3.626900      0.3163000       1.296500    
 C  -0.2708000      -2.254700     -0.5093000    
 C   -3.724800      0.4507000      -1.566200    
 H   -1.137100     -0.1572000       2.085700    
 H   -1.975100      -1.560400       1.418600    
 H   -4.283800     -0.2264000       1.292500    
 H   -3.309100      0.9294000       2.218500    
 H   -4.195500       1.473200      0.8147000    
 H   -1.096200       2.002300      0.7360000    
 H   -1.019500       1.415000     -0.9365000    
 H   -2.390400       2.374700     -0.3756000    
 H    2.243300      -1.559500      2.3800001E-02
 H    3.739900     -0.1427000      -2.150100    
 H    4.987300      0.5562000      -1.109600    
 H    4.502300      -1.130400     -0.8938000    
 H    1.825300       2.104400      0.2404000    
 H    2.069900       1.730000      -1.474900    
 H    3.378400       2.433400     -0.5213000    
 H    3.962600     -0.6849000       1.591900    
 H    4.491500      0.9863000       1.369000    
 H    2.892400      0.6541000       2.036700    
 H   0.4663000      -2.997000     -0.1918000    
 H  -7.9400003E-02  -1.963700      -1.545900    
 H   -1.262800      -2.710100     -0.4541000    
 H   -3.247200       1.341000      -1.981400    
 H   -4.652200      0.6927000      -1.042800    
 H   -4.031700     -0.1423000      -2.435700    


%chk=000122975-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122975

0 1
O -3.162939 -0.687156 -0.513882
N 2.012212 -0.257231 -0.439168
N 0.902734 0.017813 0.348594
C -2.558316 0.395064 0.327297
C -1.379257 -0.324003 1.053852
C 3.304132 0.345838 0.003713
C -0.193782 -0.704556 0.189726
C -3.585074 0.874507 1.380689
C -2.055914 1.567103 -0.542643
C 4.359683 -0.066654 -1.048026
C 3.147938 1.884372 0.038095
C 3.703619 -0.180870 1.410900
C -0.298485 -1.860818 -0.790429
C -4.269524 -0.296901 -1.384954
H -1.013964 0.347627 1.851760
H -1.806120 -1.227833 1.532589
H -3.927602 0.024653 1.997918
H -3.127301 1.628229 2.046877
H -4.468129 1.341767 0.908105
H -1.407261 2.228801 0.058297
H -1.452780 1.193018 -1.387699
H -2.892178 2.172565 -0.937650
H 2.090133 -1.193379 -0.866317
H 4.077782 0.302972 -2.050313
H 5.345218 0.355490 -0.784238
H 4.470175 -1.168193 -1.097917
H 2.334217 2.162655 0.728416
H 2.894683 2.268057 -0.966261
H 4.086528 2.360054 0.376513
H 3.852768 -1.277386 1.394236
H 4.641457 0.290140 1.758769
H 2.901723 0.050079 2.133667
H 0.383541 -2.696153 -0.517639
H -0.024604 -1.539992 -1.817276
H -1.329479 -2.239892 -0.818744
H -3.969677 0.467776 -2.129588
H -5.145367 0.078059 -0.816305
H -4.561490 -1.217518 -1.916666


