%chk=000097298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097298

0 1
 O    3.998500      -2.455500      5.0000001E-02
 O   -5.566000     -8.9500003E-02 -0.1615000    
 O    1.977200      -2.323200       1.081200    
 O   -4.397500      -1.655700      -1.322500    
 N   0.4599000     -0.3419000     -0.1415000    
 C    1.710600      0.2939000     -0.2642000    
 C  -0.8275000      0.1366000      0.1800000    
 C    2.897000     -0.3898000      1.3300000E-02
 C   -1.956700     -0.4929000     -0.3436000    
 C    1.760700       1.629400     -0.6710000    
 C  -0.9710000       1.240200       1.021000    
 C   -3.229600     -1.8800000E-02 -2.6300000E-02
 C    4.125600      0.2580000     -0.1153000    
 C   -2.244000       1.714300       1.338400    
 C   -3.373100       1.084800      0.8147000    
 C    2.989400       2.277300     -0.7998000    
 C    4.171700       1.591500     -0.5218000    
 C    2.882300      -1.783600      0.4400000    
 C   -4.407500     -0.6752000     -0.5712000    
 H   0.4791000      -1.334200     -0.3586000    
 H   -1.836400      -1.352300     -0.9995000    
 H   0.8596000       2.183900     -0.9184000    
 H  -0.1108000       1.736100       1.461900    
 H    5.064000     -0.2436000      0.1062000    
 H   -2.355600       2.570300       1.997600    
 H   -4.344800       1.486100       1.088900    
 H    3.026000       3.314100      -1.121000    
 H    5.128100       2.096900     -0.6204000    
 H    3.981100      -3.392400      0.3406000    
 H   -6.354100     -0.5397000     -0.5339000    


%chk=000097298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097298

0 1
O 4.109125 -2.513517 0.252648
O -5.639372 -0.263400 -0.176205
O 1.801193 -2.610517 0.188207
O -4.294957 -1.930190 -1.071432
N 0.464847 -0.304346 0.008591
C 1.695463 0.330681 -0.148528
C -0.816192 0.261776 0.219208
C 2.914025 -0.450517 -0.087209
C -1.943713 -0.479220 -0.219554
C 1.813844 1.728381 -0.424855
C -1.030611 1.484756 0.917063
C -3.253886 -0.004289 0.019932
C 4.175455 0.189554 -0.251860
C -2.341922 1.956935 1.139126
C -3.462896 1.226587 0.693948
C 3.071640 2.327407 -0.591155
C 4.267763 1.567732 -0.489993
C 2.856849 -1.902126 0.121663
C -4.388767 -0.835405 -0.465700
H 0.532173 -1.339810 0.017274
H -1.815294 -1.427554 -0.753254
H 0.911668 2.330492 -0.553902
H -0.181642 2.041071 1.323799
H 5.074535 -0.429800 -0.193686
H -2.485137 2.896979 1.682663
H -4.481156 1.582871 0.866413
H 3.123779 3.398848 -0.816020
H 5.243199 2.046689 -0.616036
H 3.966922 -3.489960 0.376609
H -6.350735 -0.865007 -0.524455


