%chk=000176041.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176041

0 1
 O  -0.9107000      0.8414000     -0.7172000    
 O    6.311200      0.5158000     -0.6357000    
 N    4.219000      -1.010500      0.3697000    
 N    5.038100     -0.2670000       1.159400    
 C   -4.421400     -0.3553000     -0.1175000    
 C   -5.741300      0.3298000      0.2478000    
 C   -3.246900      0.6144000     -0.2390000    
 C   -6.911500     -0.6437000      0.3936000    
 C   -1.965500     -0.1072000     -0.6351000    
 C   -8.211100      9.1600001E-02  0.6847000    
 C   0.3538000      0.3850000     -0.4493000    
 C   0.6813000     -0.9368000     -0.7278000    
 C    1.294900       1.249000      9.8300003E-02
 C    2.918100     -0.5406000      9.4499998E-02
 C    1.967900      -1.401300     -0.4549000    
 C    2.581700      0.7846000      0.3711000    
 C    6.042300      0.4508000      0.5574000    
 H   -4.189000      -1.111000      0.6431000    
 H   -4.549000     -0.8905000      -1.066700    
 H   -5.980700       1.071800     -0.5242000    
 H   -5.612300      0.8818000       1.187200    
 H   -3.092500       1.141700      0.7106000    
 H   -3.471700       1.390800     -0.9807000    
 H   -6.705100      -1.353400       1.202900    
 H   -7.026900      -1.225800     -0.5280000    
 H   -2.092200     -0.5888000      -1.611700    
 H   -1.764100     -0.8723000      0.1260000    
 H   -9.034800     -0.6218000      0.7878000    
 H   -8.138000      0.6634000       1.615300    
 H   -8.460700      0.7837000     -0.1259000    
 H  -1.9500000E-02  -1.630700      -1.181500    
 H    1.036500       2.281800      0.3140000    
 H    2.220500      -2.434200     -0.6807000    
 H    3.292200       1.489200      0.7938000    
 H    4.444600      -1.988700      0.2426000    
 H    4.867900     -0.2978000       2.158300    
 H    6.627800       1.002300       1.311400    


%chk=000176041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176041

0 1
O -0.952700 0.664594 0.573768
O 5.916187 0.176575 -1.850212
N 4.484338 -0.956068 0.355049
N 5.503729 0.007726 0.452770
C -4.568138 -0.392314 -0.031485
C -5.915014 0.345878 0.139416
C -3.353200 0.481737 0.355577
C -7.137049 -0.519036 -0.244736
C -2.027409 -0.261539 0.178825
C -8.478808 0.225230 -0.072701
C 0.373007 0.200240 0.480855
C 0.747562 -1.097145 0.049699
C 1.376572 1.127316 0.850235
C 3.118064 -0.526866 0.363994
C 2.111902 -1.453998 -0.001995
C 2.736625 0.770510 0.793717
C 6.173595 0.500124 -0.661720
H -4.577026 -1.313907 0.587847
H -4.467069 -0.725399 -1.085798
H -5.909805 1.267154 -0.479655
H -6.019785 0.680098 1.192629
H -3.442059 0.808623 1.409461
H -3.333418 1.398694 -0.264292
H -7.141357 -1.439339 0.374744
H -7.030408 -0.853417 -1.297033
H -1.884185 -0.570737 -0.878732
H -1.993314 -1.169224 0.819031
H -9.336018 -0.414843 -0.351430
H -8.622935 0.545168 0.976609
H -8.513669 1.131555 -0.706385
H -0.003788 -1.834666 -0.246818
H 1.072045 2.127740 1.172974
H 2.391350 -2.462248 -0.331489
H 3.501594 1.505097 1.063369
H 4.713391 -1.690666 -0.322869
H 5.849418 0.211733 1.394315
H 6.990676 1.197118 -0.363932


