%chk=000055140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055140

0 1
 O   -2.531200      -1.041800      4.9500000E-02
 O   -1.218300       2.809500     -4.3499999E-02
 N   -4.743600     -0.3420000      4.5600001E-02
 C  -0.6658000      0.5129000      4.9000001E-03
 C   -1.185000     -0.7793000      3.6499999E-02
 C    1.575600     -0.3772000      1.3400000E-02
 C   0.7153000      0.7211000     -6.6000000E-03
 C   -3.426600      2.1600001E-02  2.9899999E-02
 C   -1.598900       1.647500     -1.5500000E-02
 C  -0.3223000      -1.875600      5.6699999E-02
 C    3.008300     -0.1733000      3.0000001E-04
 C    1.058200      -1.673000      4.5200001E-02
 C   -3.034300       1.306100     -6.9999998E-04
 C    3.705900     -4.8599999E-02   1.201600    
 C    3.691200     -0.1016000      -1.213600    
 C   -5.805200      0.6548000      2.9600000E-02
 C   -5.152200      -1.723200     -0.1708000    
 C    5.086800      0.1478000       1.189000    
 C    5.072100      9.4599999E-02  -1.226400    
 C    5.769900      0.2194000     -2.5000000E-02
 H    1.119900       1.730500     -3.1399999E-02
 H  -0.7166000      -2.887800      8.1299998E-02
 H    1.718000      -2.537500      6.1000001E-02
 H   -3.717000       2.147400     -2.0000000E-02
 H    3.188700     -0.1019000       2.156900    
 H    3.162600     -0.1968000      -2.159200    
 H   -5.809600       1.203700     -0.9187000    
 H   -5.697300       1.363000      0.8590000    
 H   -6.795200      0.1994000      0.1444000    
 H   -4.612000      -2.404600      0.4960000    
 H   -4.959200      -2.018500      -1.207800    
 H   -6.218700      -1.873800      2.7700000E-02
 H    5.630200      0.2451000       2.124300    
 H    5.604100      0.1504000      -2.171600    
 H    6.845100      0.3723000     -3.5000000E-02


%chk=000055140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055140

0 1
O -2.607236 -1.011212 0.188176
O -1.198285 2.795849 -0.869687
N -4.811607 -0.364859 -0.024309
C -0.703428 0.512802 -0.213840
C -1.214646 -0.757063 0.139794
C 1.586306 -0.367572 0.079712
C 0.699066 0.688685 -0.235657
C -3.495194 0.029237 -0.117892
C -1.636318 1.637689 -0.545274
C -0.367274 -1.835510 0.460622
C 3.064457 -0.169640 0.051680
C 1.023863 -1.634050 0.426709
C -3.045778 1.301386 -0.469940
C 3.916434 -0.874077 0.946874
C 3.660981 0.734555 -0.870333
C -5.863242 0.623954 -0.306355
C -5.223698 -1.732519 0.334748
C 5.314540 -0.683888 0.920218
C 5.058293 0.927376 -0.896673
C 5.893573 0.218027 -0.002345
H 1.061483 1.692400 -0.483160
H -0.797642 -2.807820 0.717369
H 1.687092 -2.478119 0.643764
H -3.759841 2.091743 -0.704717
H 3.480668 -1.550155 1.691445
H 3.028621 1.271200 -1.586305
H -5.796663 1.000328 -1.345431
H -5.797824 1.488138 0.382129
H -6.845530 0.145296 -0.171939
H -4.336981 -2.354767 0.512375
H -5.816697 -2.185909 -0.482671
H -5.839729 -1.723170 1.254299
H 5.950580 -1.230225 1.625842
H 5.495797 1.625053 -1.619476
H 6.978758 0.367436 -0.022747


