%chk=000102961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102961

0 1
 O    2.152800       1.181100      0.6200000    
 O   -3.040100     -0.1417000      0.2197000    
 O    1.071600      9.8800004E-02  -1.149000    
 O   -1.359000       4.275500      0.8323000    
 O   -1.496300      0.1526000       1.894500    
 O    7.433500      -1.831500      -1.071600    
 O    6.612900      -3.275900      0.3634000    
 N   -1.268300       1.186500     -0.1704000    
 N  -0.5991000       5.447900     -0.9928000    
 N    6.546600      -2.188500     -0.2591000    
 C  -3.4899998E-02   1.887400      8.0100000E-02
 C   9.1300003E-02   3.154100     -0.7611000    
 C    1.090600      0.9248000     -0.2451000    
 C  -0.7020000       4.322200     -0.2033000    
 C   -1.896100      0.3778000      0.7569000    
 C   -3.796600      -1.004500       1.076600    
 C    3.247300      0.3416000      0.4009000    
 C   -5.011800      -1.484800      0.3389000    
 C    4.245200      0.7171000     -0.4984000    
 C    3.342100     -0.8725000       1.081200    
 C   -6.199700     -0.7565000      0.4030000    
 C   -4.953400      -2.659200     -0.4114000    
 C    5.433400      -1.335200     -3.6899999E-02
 C    5.338200     -0.1212000     -0.7171000    
 C    4.435400      -1.710900      0.8623000    
 C   -7.329400      -1.202700     -0.2829000    
 C   -6.083100      -3.105400      -1.097400    
 C   -7.271100      -2.377000      -1.033100    
 H   8.6000003E-03   2.112700       1.152800    
 H  -0.2318000       2.972100      -1.793900    
 H    1.141300       3.472300     -0.8027000    
 H   -1.682100       1.247600      -1.096100    
 H   -4.093900     -0.4597000       1.981200    
 H   -3.178000      -1.857300       1.382600    
 H    4.176100       1.661900      -1.030600    
 H    2.567600      -1.169800       1.783000    
 H   -6.257000      0.1612000      0.9823000    
 H   -4.033200      -3.234200     -0.4710000    
 H    6.096600      0.2041000      -1.424700    
 H    4.476200      -2.649000       1.410000    
 H  -4.8400000E-02   5.464700      -1.845300    
 H   -1.077400       6.306600     -0.7417000    
 H   -8.254200     -0.6353000     -0.2334000    
 H   -6.037700      -4.019400      -1.682200    
 H   -8.150500      -2.724200      -1.567500    


%chk=000102961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102961

0 1
O 2.161951 0.688248 0.082368
O -2.985187 -1.513393 -0.837385
O 1.367183 -1.076548 -1.270727
O -1.538574 3.152176 0.307086
O -1.944671 -0.729311 1.135854
O 8.324899 0.388674 1.625059
O 8.188755 -1.496061 0.345682
N -1.264873 -0.047008 -1.008191
N -1.734868 3.809294 -1.910641
N 7.667643 -0.448081 0.892199
C -0.147620 0.762171 -0.547587
C -0.044942 2.097751 -1.329002
C 1.176027 -0.017547 -0.648691
C -1.176668 3.050179 -0.898925
C -2.049783 -0.757463 -0.116460
C -3.973691 -2.282866 -0.003382
C 3.522308 0.302171 0.221445
C -5.247044 -1.494417 0.211442
C 4.270526 1.194350 1.027396
C 4.116433 -0.844208 -0.364511
C -5.305677 -0.485843 1.209280
C -6.395073 -1.753878 -0.578493
C 6.227394 -0.187365 0.663389
C 5.634791 0.952710 1.253032
C 5.485858 -1.083122 -0.135412
C -6.492930 0.252438 1.405604
C -7.585469 -1.018755 -0.378916
C -7.635834 -0.012954 0.613907
H -0.327884 1.010264 0.515952
H -0.047815 1.915159 -2.420629
H 0.913210 2.586326 -1.072381
H -1.371613 -0.259125 -2.001154
H -3.478748 -2.531308 0.951527
H -4.148759 -3.193542 -0.597276
H 3.766105 2.059504 1.466078
H 3.526840 -1.527262 -0.975513
H -4.416388 -0.282629 1.816793
H -6.356421 -2.532474 -1.350576
H 6.241891 1.619784 1.869691
H 5.984832 -1.954470 -0.567263
H -1.461833 3.706711 -2.886189
H -2.465854 4.478541 -1.667872
H -6.528798 1.029916 2.176728
H -8.469046 -1.229888 -0.991712
H -8.558384 0.557351 0.771380


