%chk=000080761.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080761

0 1
 O    1.436200      -3.319300      3.2299999E-02
 O   3.0500000E-02   2.530700     -0.1058000    
 O   -1.071800      -2.694700      6.8200000E-02
 N    2.607800       2.119100     -0.1460000    
 C   0.9026000      0.3274000     -5.9099998E-02
 C   0.6113000      -1.037600     -1.4600000E-02
 C   -1.586900      0.8600000     -2.2900000E-02
 C   -1.878300     -0.5050000      2.2000000E-02
 C  -0.1858000       1.326100     -6.5300003E-02
 C    2.234900      0.7560000     -9.8800004E-02
 C  -0.7899000      -1.503600      2.7899999E-02
 C    1.652000      -1.974000     -1.0200000E-02
 C    3.269000     -0.1805000     -9.4400004E-02
 C    2.978200      -1.542500     -5.0400000E-02
 C   -2.627600       1.796500     -2.8200001E-02
 C   -3.210500     -0.9336000      6.1900001E-02
 C   -3.953900       1.365000      1.1100000E-02
 C   -4.244600      2.9000000E-03  5.6299999E-02
 C    3.826800       2.607000      0.4159000    
 H    4.314900      0.1086000     -0.1373000    
 H    3.791100      -2.264100     -5.0099999E-02
 H   -2.429900       2.864400     -6.2799998E-02
 H   -3.465200      -1.989400      9.7400002E-02
 H    1.874900       2.794500     -0.3273000    
 H   -4.760900       2.091900      6.8000001E-03
 H   -5.277900     -0.3303000      8.7099999E-02
 H    4.692900       2.329700     -0.1932000    
 H    3.972800       2.250100       1.441000    
 H    3.800900       3.701200      0.4524000    
 H   0.4875000      -3.514500      5.7700001E-02


%chk=000080761-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080761

0 1
O 1.378234 -3.348628 -0.004163
O 0.035712 2.638222 0.085704
O -1.049431 -2.799094 -0.043290
N 2.583304 2.131061 0.135146
C 0.887984 0.373565 0.061686
C 0.582527 -1.034247 0.026037
C -1.597380 0.864811 0.019247
C -1.893716 -0.532306 -0.013913
C -0.192848 1.357048 0.057244
C 2.268064 0.795659 0.098785
C -0.796936 -1.516169 -0.013509
C 1.632828 -2.004292 0.027457
C 3.301549 -0.214078 0.096114
C 2.994407 -1.569485 0.062432
C -2.662573 1.800525 0.017291
C -3.242614 -0.971754 -0.048333
C -3.998476 1.356986 -0.016950
C -4.290521 -0.032976 -0.049870
C 3.942125 2.667520 0.170250
H 4.350472 0.095395 0.120883
H 3.778168 -2.332669 0.061033
H -2.410625 2.864929 0.043181
H -3.434857 -2.048648 -0.073562
H 1.744374 2.752953 0.128865
H -4.816469 2.085579 -0.018212
H -5.331440 -0.372573 -0.076423
H 4.524335 2.390608 -0.731198
H 4.502210 2.323379 1.062290
H 3.883710 3.766794 0.211311
H 0.328981 -3.446113 -0.023934


