%chk=000066716.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066716

0 1
 O   -3.250200      -1.579300      0.2916000    
 O   0.2086000      -1.469100      -1.157800    
 O  -0.1530000       2.410800     -0.3210000    
 N   -1.234000      0.3485000     -3.1700000E-02
 C    3.561400      0.5622000      0.2690000    
 C    3.683700     -0.7586000     -0.2243000    
 C    1.175600      0.5049000     -0.2036000    
 C    2.300100       1.179800      0.2722000    
 C    1.295800     -0.7940000     -0.6884000    
 C    2.541200      -1.422800     -0.6993000    
 C  -0.1156000       1.178400     -0.1839000    
 C   -2.602600      0.7124000     -1.0000000E-03
 C    4.703900       1.226300      0.7445000    
 C    4.945000      -1.376200     -0.2278000    
 C   -3.574000     -0.2618000      0.1596000    
 C    5.949300      0.5972000      0.7339000    
 C    6.069400     -0.7016000      0.2485000    
 C   -2.937000       2.050100     -0.1345000    
 C   -4.917500      0.1121000      0.1879000    
 C   -4.280600       2.423800     -0.1064000    
 C   -5.270800       1.454900      5.4800000E-02
 C   -4.328800      -2.498000      0.4519000    
 C   -3.769600      -3.900100      0.5658000    
 H    2.204900       2.194000      0.6574000    
 H    2.627300      -2.439000      -1.080400    
 H    4.633600       2.242000       1.128400    
 H    5.062700      -2.391000     -0.6024000    
 H   -1.072500     -0.6483000      9.2500001E-02
 H    6.825000       1.121900       1.104600    
 H    7.039100      -1.190800      0.2402000    
 H   -2.236800       2.861100     -0.2626000    
 H   -5.743600     -0.5795000      0.3106000    
 H   -4.557400       3.469100     -0.2098000    
 H   -6.316700       1.747300      7.6800004E-02
 H   -4.886200      -2.282100       1.371400    
 H   -4.990600      -2.473900     -0.4224000    
 H   0.4844000      -2.354900      -1.449100    
 H   -4.571500      -4.633500      0.6894000    
 H   -3.189600      -4.157600     -0.3268000    
 H   -3.087600      -3.975000       1.419300    


%chk=000066716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066716

0 1
O -3.259641 -1.455816 0.032991
O 0.088076 -1.861251 0.012665
O -0.167727 2.395138 0.169864
N -1.358676 0.374626 0.094323
C 3.591946 0.539467 0.103634
C 3.718979 -0.902610 0.047410
C 1.114607 0.346992 0.095573
C 2.286648 1.115766 0.125659
C 1.268058 -1.086220 0.041132
C 2.525932 -1.691028 0.017539
C -0.188980 1.120905 0.123135
C -2.686946 0.863041 0.107838
C 4.779235 1.344270 0.134971
C 5.028357 -1.485933 0.024136
C -3.724272 -0.124947 0.074548
C 6.043051 0.750716 0.111544
C 6.166188 -0.675328 0.055492
C -3.050891 2.232479 0.149203
C -5.082453 0.249586 0.082866
C -4.415294 2.602879 0.157003
C -5.428249 1.622077 0.124104
C -4.259263 -2.537898 -0.003507
C -3.487558 -3.854570 -0.042833
H 2.157596 2.203393 0.166987
H 2.610645 -2.785610 -0.024233
H 4.677114 2.434855 0.177420
H 5.127631 -2.577165 -0.018585
H -1.257258 -0.653141 0.060432
H 6.945285 1.371001 0.135792
H 7.163193 -1.129425 0.037107
H -2.256371 2.979590 0.174480
H -5.871379 -0.507826 0.057649
H -4.679937 3.665080 0.188735
H -6.484189 1.913083 0.130576
H -4.901850 -2.474420 0.898248
H -4.896774 -2.417797 -0.903124
H 0.279745 -2.828745 -0.025377
H -4.191351 -4.706072 -0.071193
H -2.846925 -3.901661 -0.940455
H -2.851504 -3.957780 0.853352


