%chk=000124701.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124701

0 1
 O    2.854600       1.811700      -1.197600    
 O    3.655200       2.095600      0.9049000    
 O   -2.665500      -1.360800       1.141700    
 O   -5.521400       1.342500     -0.9706000    
 N   -1.366200     -0.9100000     -0.7305000    
 N    5.277300     -0.1208000      0.5365000    
 N   -2.911600      0.6419000     -3.5999999E-03
 C    1.685700      -1.023000     -0.4215000    
 C    3.021600      -1.045500      0.3282000    
 C   0.6675000      -2.057300      7.5700000E-02
 C    4.029800     -3.0500000E-02 -0.2267000    
 C  -0.6197000      -2.135300     -0.7401000    
 C    3.518300       1.393100     -8.8799998E-02
 C   -2.345500     -0.6104000      0.2208000    
 C   -3.948900       1.193600      0.8359000    
 C   -5.331100      0.8152000      0.3358000    
 H    1.230200     -3.0600000E-02 -0.3334000    
 H    1.873700      -1.194700      -1.488700    
 H    3.446600      -2.055700      0.2675000    
 H    2.829100     -0.8435000       1.390400    
 H   0.4234000      -1.836000       1.122300    
 H    1.138600      -3.048000      6.5600000E-02
 H    4.250800     -0.2345000      -1.280400    
 H   -1.251800      -2.939800     -0.3485000    
 H  -0.3913000      -2.369000      -1.785300    
 H   -1.165200     -0.2204000      -1.448100    
 H    5.977500      0.4914000      0.1188000    
 H    5.651700      -1.066500      0.4680000    
 H   -2.591600       1.187100     -0.7982000    
 H   -3.808500      0.8447000       1.863900    
 H   -3.820600       2.280800      0.8124000    
 H   -6.099900       1.232000      0.9937000    
 H   -5.452100     -0.2721000      0.2910000    
 H    2.515600       2.726600      -1.097100    
 H   -6.415500       1.085900      -1.254200    


%chk=000124701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124701

0 1
O 2.554077 1.892709 -0.639985
O 4.655246 2.360892 0.209452
O -2.692059 -1.559045 1.247272
O -5.221441 1.959668 -0.963563
N -1.420038 -1.084706 -0.662266
N 5.425369 -0.249320 0.174649
N -3.100375 0.406190 0.034595
C 1.700132 -1.068910 -0.456919
C 3.013094 -0.870879 0.329535
C 0.735895 -2.043572 0.255265
C 4.094764 0.018524 -0.368544
C -0.583527 -2.285901 -0.517427
C 3.834793 1.516772 -0.216150
C -2.420657 -0.791358 0.268067
C -4.200426 0.840401 0.896181
C -5.504329 0.975906 0.105397
H 1.209187 -0.089613 -0.602289
H 1.937796 -1.462778 -1.469657
H 3.494364 -1.856324 0.488203
H 2.810009 -0.465286 1.338815
H 0.484676 -1.662292 1.263934
H 1.236675 -3.023704 0.399225
H 4.013613 -0.178778 -1.468661
H -1.192850 -3.030456 0.022926
H -0.362866 -2.686051 -1.527047
H -1.153683 -0.386242 -1.356831
H 6.039527 0.559978 0.279032
H 5.867277 -1.120341 -0.113366
H -2.973841 0.932912 -0.831412
H -4.308461 0.085150 1.693842
H -3.964763 1.816553 1.363967
H -6.314317 1.338976 0.771773
H -5.790768 -0.003753 -0.328731
H 2.458671 2.877474 -0.524005
H -6.019963 2.074907 -1.535475


