%chk=000094945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094945

0 1
 O    2.631900      -1.713300      0.2117000    
 O    3.815100      0.3514000     -0.1688000    
 O   -4.627700     -0.8888000     -0.8385000    
 O   -4.253800      0.4275000      0.8874000    
 N   -3.879600     -0.3067000     -3.9200000E-02
 C    1.792100     -0.6469000      0.1124000    
 C    2.467700      0.5321000     -0.1047000    
 C  -0.2788000      0.5172000      8.4299996E-02
 C   0.4164000     -0.6877000      0.2118000    
 C    1.805200       1.735300     -0.2344000    
 C    3.911800      -1.073300      3.1900000E-02
 C   0.4117000       1.721800     -0.1376000    
 C   -1.730400      0.5270000      0.1817000    
 C   -2.481600     -0.4955000     -0.1980000    
 H  -7.7799998E-02  -1.635500      0.3981000    
 H    2.341400       2.661800     -0.4056000    
 H    4.407000      -1.517700     -0.8392000    
 H    4.526100      -1.261800      0.9199000    
 H  -0.1295000       2.660100     -0.2386000    
 H   -2.144900       1.452900      0.5744000    
 H   -2.209600      -1.432800     -0.6582000    


%chk=000094945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094945

0 1
O 2.742434 -1.742163 -0.027040
O 3.909900 0.356150 -0.015521
O -4.784581 -1.347436 -0.009159
O -4.513153 0.928651 0.005744
N -4.044122 -0.279982 -0.004254
C 1.825410 -0.666555 -0.018972
C 2.520448 0.569374 -0.012031
C -0.284303 0.501712 -0.005827
C 0.439051 -0.739840 -0.016081
C 1.845586 1.793356 -0.001759
C 4.094316 -1.125519 -0.032280
C 0.430831 1.736991 0.001218
C -1.742375 0.561752 -0.002091
C -2.605296 -0.496990 -0.010232
H -0.069592 -1.706761 -0.021183
H 2.385398 2.742758 0.003809
H 4.618704 -1.407242 -0.960622
H 4.634302 -1.426175 0.880813
H -0.137173 2.673552 0.009053
H -2.204800 1.558278 0.008204
H -2.348287 -1.556813 -0.020990


