%chk=000072227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072227

0 1
 O   -4.330400     -0.4082000     -0.5063000    
 O   -5.008800       1.474100      -2.490500    
 O   -2.109400      -2.913400     -0.2857000    
 O    2.228100       1.068900       1.351700    
 N   -2.180400     -0.7154000      0.4231000    
 N  -0.1507000      -1.760800     -0.3048000    
 N    1.793400     -0.5159000     -0.2918000    
 C   -3.614300     -0.7797000      0.6842000    
 C   -5.126400      0.7610000     -0.2134000    
 C   -3.994600      0.2070000       1.721400    
 C   -4.856900       1.084100       1.212900    
 C   -4.724700       1.878400      -1.161600    
 C   -1.500200      0.4613000      0.6613000    
 C   -1.513600      -1.856900     -6.8499997E-02
 C  -0.1904000      0.5811000      0.4422000    
 C   0.4480000     -0.6411000     -6.8700001E-02
 C    2.603600      0.3379000      0.4387000    
 C    4.044100      0.3127000      7.6600000E-02
 C    4.978000      0.6475000       1.034900    
 C    4.401900     -4.4599999E-02  -1.206900    
 C    6.330600      0.6241000      0.6947000    
 C    5.754400     -6.8200000E-02  -1.547100    
 C    6.718700      0.2663000     -0.5963000    
 H   -3.912400      -1.795100      0.9653000    
 H   -6.175500      0.4837000     -0.3641000    
 H   -3.652900      0.2029000       2.746300    
 H   -5.307400       1.898600       1.759900    
 H   -3.651100       2.087000      -1.101900    
 H   -5.280500       2.797300     -0.9482000    
 H   -2.045800       1.345500      0.9651000    
 H   0.2676000       1.556500      0.5008000    
 H   -4.745000       2.205000      -3.075100    
 H    2.226100      -1.257100     -0.8355000    
 H    4.692900      0.9234000       2.045800    
 H    3.680100     -0.2808000      -1.982100    
 H    7.081600      0.8835000       1.435000    
 H    6.056900     -0.3398000      -2.554300    
 H    7.771700      0.2495000     -0.8618000    


%chk=000072227-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072227

0 1
O -4.374900 0.260778 -1.030187
O -5.132060 3.142333 -0.977718
O -2.020900 -2.790572 0.567238
O 2.390631 1.821524 -0.828672
N -2.227577 -0.637847 -0.330763
N -0.055014 -1.529394 0.240914
N 1.881863 -0.339380 -0.072023
C -3.725185 -0.876221 -0.389950
C -5.302228 0.920179 -0.054001
C -4.354639 -0.982560 0.989045
C -5.245169 0.020965 1.165605
C -4.884479 2.366657 0.240315
C -1.658324 0.517343 -0.805542
C -1.428972 -1.736505 0.192900
C -0.283836 0.707609 -0.756894
C 0.481349 -0.372331 -0.201452
C 2.775080 0.691321 -0.400622
C 4.231671 0.374148 -0.190323
C 5.127076 1.473901 -0.134295
C 4.745455 -0.945634 -0.074314
C 6.507137 1.262497 0.056562
C 6.128933 -1.155706 0.111420
C 7.011950 -0.053543 0.184055
H -3.866740 -1.785697 -1.001168
H -6.296990 0.937645 -0.539066
H -4.086120 -1.784525 1.675932
H -5.852118 0.196714 2.056760
H -3.816638 2.391573 0.542489
H -5.501481 2.740741 1.087306
H -2.351089 1.246608 -1.233962
H 0.194604 1.615027 -1.118989
H -4.846745 4.080299 -0.841493
H 2.243970 -1.199142 0.352427
H 4.714605 2.481588 -0.248111
H 4.092185 -1.822072 -0.164398
H 7.188735 2.118408 0.104776
H 6.517447 -2.176534 0.191003
H 8.084811 -0.219895 0.330496


