%chk=000054327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054327

0 1
 O   -1.004000      0.6681000     -0.6563000    
 O   -3.367100       1.443800      4.8000002E-03
 O    5.133200      0.6338000      0.6566000    
 O    4.842700      -1.474700      0.1187000    
 N   -4.205500     -0.7316000      0.1324000    
 N    4.398300     -0.3130000      0.2850000    
 C   -5.590600     -0.4801000     -0.1365000    
 C   -5.106800     -0.6735000       1.245200    
 C   -3.225400      0.2260000     -7.6700002E-02
 C   -1.901600     -0.3934000     -0.4347000    
 C   0.3311000      0.4255000     -0.4237000    
 C    1.151000       1.465800     -1.1600000E-02
 C   0.8335000     -0.8548000     -0.6048000    
 C    3.021300     -6.2300000E-02  4.6000000E-02
 C    2.503700       1.220400      0.2243000    
 C    2.186300      -1.100000     -0.3686000    
 H   -6.082900      -1.298700     -0.6406000    
 H   -5.827000      0.5173000     -0.4778000    
 H   -4.991500      0.1863000       1.889300    
 H   -5.254000      -1.629500       1.725400    
 H   -2.019300     -0.9882000      -1.347000    
 H   -1.603600      -1.029600      0.4085000    
 H   0.7500000       2.465500      0.1283000    
 H   0.2201000      -1.681200     -0.9499000    
 H    3.124300       2.052800      0.5462000    
 H    2.556100      -2.110500     -0.5233000    


%chk=000054327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054327

0 1
O -1.378354 -0.150512 -0.070568
O -4.264956 -1.286437 -1.973811
O 4.745356 0.719894 1.390587
O 4.991355 -0.656156 -0.415007
N -4.088745 -0.432048 0.188898
N 4.263555 0.006871 0.424385
C -5.344087 0.259945 0.514827
C -3.987258 0.746972 1.066547
C -3.563396 -0.856889 -1.011027
C -2.036047 -0.946299 -1.119367
C 0.015502 -0.165332 -0.016957
C 0.587632 0.603254 1.032626
C 0.845388 -0.878694 -0.923610
C 2.797773 -0.052723 0.272282
C 1.979330 0.662319 1.180764
C 2.243250 -0.819819 -0.774399
H -6.030727 -0.274156 1.179181
H -5.819771 0.835424 -0.287848
H -3.555105 1.659502 0.641616
H -3.729819 0.550064 2.112166
H -1.747714 -0.583823 -2.124254
H -1.749258 -2.013247 -1.029020
H -0.078944 1.138922 1.714289
H 0.419661 -1.471438 -1.737379
H 2.447054 1.244698 1.978510
H 2.910623 -1.356092 -1.454231


