%chk=000082603.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082603

0 1
 O   -2.401700      -1.296800      0.3342000    
 O    3.310400       1.426300     -0.1980000    
 O   -1.425200       2.644000     -5.0200000E-02
 O   -2.969800       1.099000      0.1659000    
 N   -1.768300       1.444200      6.9799997E-02
 N    3.933400     -0.7769000     -6.9100000E-02
 C  -0.7607000      0.4408000      9.7499996E-02
 C    1.578900     -0.1563000      1.3900000E-02
 C   -1.099800     -0.9060000      0.2273000    
 C   0.5787000      0.8156000     -9.3000000E-03
 C    1.239800      -1.503000      0.1440000    
 C  -9.9600002E-02  -1.877900      0.2508000    
 C    2.975800      0.2327000     -9.7599998E-02
 C   -3.092000      -1.585800     -0.8793000    
 H   0.8577000       1.861700     -0.1118000    
 H    1.961700      -2.310200      0.1702000    
 H  -0.3572000      -2.928700      0.3529000    
 H   -2.826300      -2.591700      -1.219200    
 H   -2.860700     -0.8621000      -1.668000    
 H   -4.166700      -1.558700     -0.6795000    
 H    3.750700      -1.768400      1.3900000E-02
 H    4.916000     -0.5306000     -0.1381000    


%chk=000082603-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082603

0 1
O -2.452909 -1.283117 0.390082
O 3.368808 1.386164 -0.623204
O -1.345153 2.655872 0.596206
O -2.831642 1.353255 -0.542024
N -1.695355 1.547196 0.038006
N 4.049071 -0.691819 0.145568
C -0.712305 0.439567 0.037948
C 1.636463 -0.223759 -0.078597
C -1.130189 -0.920530 0.132208
C 0.648905 0.784774 -0.050885
C 1.232913 -1.583247 -0.007729
C -0.129183 -1.921310 0.104971
C 3.072267 0.224586 -0.210378
C -3.285838 -1.666687 -0.775794
H 0.952762 1.834242 -0.112229
H 1.971053 -2.391594 -0.060813
H -0.445352 -2.965185 0.197151
H -2.817453 -2.504183 -1.327796
H -3.430999 -0.792415 -1.431573
H -4.245848 -1.986511 -0.345894
H 3.842881 -1.581641 0.593760
H 5.022203 -0.402459 0.051317


