%chk=000031648.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031648

0 1
 O   -6.149500      0.7750000     -0.3940000    
 O   -5.117600     -0.4711000       1.236200    
 N  -0.6244000     -0.8316000      0.1265000    
 N    2.238100      -1.151900     -0.1229000    
 N   -3.908600      0.8862000     -0.2072000    
 C   0.2572000      0.3247000     -7.5599998E-02
 C  -4.2500000E-02  -2.032400     -0.4855000    
 C    1.655500      4.9100000E-02  0.4882000    
 C    1.356100      -2.308400      7.7000000E-02
 C   -1.957300     -0.5685000     -0.4121000    
 C    3.570200      -1.415300      0.4176000    
 C   -2.591500      0.6164000      0.3015000    
 C    4.515500     -0.2717000      0.1617000    
 C    5.270000     -0.2565000      -1.003200    
 C    4.618900      0.7513000       1.094000    
 C    6.145700      0.8030000      -1.240500    
 C    5.494600       1.810900      0.8565000    
 C   -5.064000      0.3209000      0.3010000    
 C    6.257900       1.836600     -0.3108000    
 C   -7.419400      0.2670000      2.9899999E-02
 C   -8.505100      0.8664000     -0.8383000    
 H  -0.1011000       1.207400      0.4615000    
 H   0.3286000      0.5860000      -1.140200    
 H   1.3300000E-02  -1.927900      -1.577600    
 H  -0.6762000      -2.901900     -0.2727000    
 H    1.602000     -4.5100000E-02   1.581200    
 H    2.234300      0.9455000      0.2482000    
 H    1.768500      -3.183300     -0.4402000    
 H    1.280800      -2.564000       1.142800    
 H   -1.922900     -0.3828000      -1.494200    
 H   -2.594900      -1.449700     -0.2642000    
 H    3.987400      -2.320300     -4.4199999E-02
 H    3.531400      -1.625400       1.495800    
 H   -2.046600       1.549700      0.1423000    
 H   -2.656900      0.4327000       1.380200    
 H   -3.998900       1.523600     -0.9928000    
 H    5.188900      -1.055200      -1.735100    
 H    4.042500      0.7384000       2.014600    
 H    6.739800      0.8234000      -2.149400    
 H    5.584600       2.614200       1.581800    
 H    6.940200       2.661200     -0.4953000    
 H   -7.427100     -0.8242000     -6.8400003E-02
 H   -7.590300      0.5396000       1.077300    
 H   -8.337600      0.6177000      -1.891400    
 H   -8.498000       1.958900     -0.7648000    
 H   -9.491200      0.4988000     -0.5410000    


%chk=000031648-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031648

0 1
O -6.348819 0.684672 -0.490238
O -5.218077 -1.043915 0.659652
N -0.648593 -0.508156 0.188123
N 2.218576 -0.929890 0.248201
N -4.157139 0.963642 0.050482
C 0.298148 0.599767 -0.087625
C -0.055474 -1.805830 -0.218213
C 1.626846 0.370655 0.648699
C 1.272385 -2.038628 0.521942
C -2.002460 -0.270215 -0.356996
C 3.554514 -1.160484 0.844082
C -2.840618 0.612786 0.603113
C 4.632121 -0.239439 0.277565
C 4.647022 0.087124 -1.102379
C 5.661041 0.263981 1.110639
C 5.673577 0.895423 -1.637944
C 6.693333 1.069979 0.576674
C -5.223063 0.096437 0.124899
C 6.703326 1.387845 -0.800754
C -7.583575 -0.146324 -0.469317
C -8.668401 0.665351 -1.171256
H -0.143343 1.553700 0.255081
H 0.504900 0.691832 -1.184553
H 0.138057 -1.845965 -1.320093
H -0.764336 -2.614471 0.037854
H 1.439878 0.407241 1.751905
H 2.337572 1.176970 0.393585
H 1.725114 -2.986503 0.174119
H 1.056576 -2.136008 1.615984
H -1.976036 0.202991 -1.370719
H -2.522506 -1.239456 -0.462710
H 3.828891 -2.212503 0.623310
H 3.539856 -1.065536 1.960562
H -2.303620 1.550100 0.833881
H -2.982362 0.061538 1.547729
H -4.301916 1.849785 -0.432953
H 3.836600 -0.292890 -1.734473
H 5.654210 0.026164 2.182177
H 5.673411 1.141320 -2.706329
H 7.482972 1.452338 1.233740
H 7.500931 2.014282 -1.216203
H -7.375408 -1.102735 -0.983083
H -7.840891 -0.371557 0.581746
H -8.381669 0.888168 -2.213423
H -8.846803 1.620129 -0.647305
H -9.614347 0.093686 -1.184979


