%chk=000047630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047630

0 1
 O   -3.348700       2.702100      0.4011000    
 O   -6.494800      -1.820700     -0.4352000    
 O   -6.664800      0.3416000     -9.6699998E-02
 N  -0.1884000     -0.3112000      4.2700000E-02
 N    2.683900     -0.1842000      0.1731000    
 N   -2.143000       2.024800      0.3387000    
 N   -4.427400       1.852100      0.2268000    
 N   -5.966400     -0.6961000     -0.2355000    
 C   0.5325000      0.8908000     -0.3755000    
 C   0.5947000      -1.446900      0.5292000    
 C    1.943400      0.5428000     -0.8580000    
 C    1.920200     -0.9779000       1.135700    
 C   -1.578100     -0.3722000     -1.9300001E-02
 C    4.073400     -0.1221000      0.2368000    
 C   -2.455100      0.7405000      0.1241000    
 C   -2.280400      -1.590000     -0.2378000    
 C    4.856500      6.5200001E-02 -0.9265000    
 C    4.760200     -0.2445000       1.467600    
 C   -3.907000      0.6308000      5.2999999E-02
 C   -3.694300      -1.696800     -0.3070000    
 C    6.248600      0.1262000     -0.8626000    
 C   -4.559400     -0.5966000     -0.1652000    
 C    6.152400     -0.1836000       1.531500    
 C    6.896800      1.5000000E-03  0.3664000    
 C    7.045400      0.3246000      -2.107300    
 H   0.5928000       1.590500      0.4670000    
 H   1.4200000E-02   1.391300      -1.202400    
 H   0.7862000      -2.136000     -0.3026000    
 H   4.5800000E-02  -1.997300       1.303100    
 H    1.887500     -7.2700001E-02  -1.764500    
 H    2.450600       1.480300      -1.117100    
 H    1.728600     -0.3738000       2.031100    
 H    2.482400      -1.868300       1.443100    
 H   -1.715300      -2.512400     -0.3754000    
 H    4.374300      0.1495000      -1.898600    
 H    4.211700     -0.3770000       2.397500    
 H   -4.104200      -2.691400     -0.4825000    
 H    6.656900     -0.2779000       2.488700    
 H    7.980800      4.5800000E-02  0.4299000    
 H    8.014500      0.7869000      -1.891100    
 H    7.220400     -0.6376000      -2.598700    
 H    6.523300      0.9878000      -2.805500    


%chk=000047630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047630

0 1
O -3.290225 2.729693 -0.942896
O -6.286216 -2.147924 -0.498624
O -6.575792 0.047982 -1.087565
N -0.235360 -0.132430 0.453399
N 2.677036 -0.180496 0.386745
N -2.081539 2.100911 -0.513607
N -4.409001 1.797071 -0.987447
N -5.843497 -0.938963 -0.681237
C 0.559096 1.098721 0.213385
C 0.534048 -1.288638 0.983574
C 1.902985 0.752623 -0.453073
C 1.941533 -0.872358 1.451051
C -1.572851 -0.288106 0.163722
C 4.079715 -0.263501 0.271723
C -2.425573 0.804428 -0.295932
C -2.231665 -1.542885 0.305447
C 4.739529 0.263388 -0.879329
C 4.878288 -0.866761 1.290005
C -3.851024 0.617288 -0.583020
C -3.607282 -1.720470 0.026500
C 6.144118 0.191613 -1.028152
C -4.437331 -0.679457 -0.412309
C 6.277140 -0.941478 1.136888
C 6.917648 -0.417479 -0.007498
C 6.806649 0.728201 -2.286996
H 0.739050 1.615823 1.176816
H -0.010194 1.790205 -0.423660
H 0.619083 -2.067660 0.198395
H -0.007639 -1.729602 1.843392
H 1.716177 0.336891 -1.466940
H 2.467647 1.697278 -0.584508
H 1.865518 -0.264439 2.380828
H 2.474035 -1.801906 1.718504
H -1.666619 -2.419014 0.626642
H 4.153979 0.714128 -1.688207
H 4.425296 -1.243227 2.212312
H -4.065363 -2.707076 0.146429
H 6.875216 -1.399894 1.933071
H 8.007196 -0.475621 -0.107667
H 7.847614 1.039644 -2.091637
H 6.838197 -0.045107 -3.079111
H 6.261076 1.596504 -2.697315


