%chk=000051577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051577

0 1
 O   -1.450900     -0.3942000       2.041400    
 O   -3.228100      0.8414000      0.3043000    
 O   -1.407700       2.526500      -1.166100    
 O  -0.8197000      -3.094600     -0.9220000    
 O    4.544600      0.4394000      0.1349000    
 N   0.8783000     -5.5000000E-03  0.3012000    
 C  -1.7100001E-02  -1.182100      0.2566000    
 C   -1.446700     -0.7586000      0.6563000    
 C   -1.963600      0.4070000     -0.1923000    
 C  -0.9762000       1.573500     -0.1952000    
 C   0.4374000       1.102100     -0.5516000    
 C  -2.2700001E-02  -1.940300      -1.078800    
 C    2.276700     -0.3400000      4.6599999E-02
 C    3.195700      0.8253000      0.3648000    
 H   0.3292000      -1.876600       1.035200    
 H   -2.151200      -1.594200      0.5755000    
 H   -2.142500      7.0699997E-02  -1.219800    
 H  -0.9791000       2.083100      0.7755000    
 H   0.4925000      0.8316000      -1.614400    
 H    1.066300       1.990200     -0.4416000    
 H   0.9778000      -2.271900      -1.370400    
 H  -0.4320000      -1.346700      -1.900700    
 H    2.440600     -0.6483000     -0.9935000    
 H    2.581900      -1.192800      0.6669000    
 H   -1.173800      -1.174500       2.551100    
 H   -3.105100       1.111000       1.230500    
 H    3.105700       1.125700       1.413700    
 H    3.028400       1.704200     -0.2608000    
 H   -1.399800       2.095000      -2.037500    
 H  -0.4094000      -3.650400     -0.2377000    
 H    4.626100      0.1988000     -0.8038000    


%chk=000051577-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051577

0 1
O -1.367458 -0.092181 1.985594
O -3.174160 0.988415 0.299963
O -1.415092 2.576899 -1.377214
O -0.834983 -3.373573 -0.649638
O 4.634402 0.385684 0.625169
N 0.931820 -0.019666 -0.104837
C 0.033584 -1.156699 0.166945
C -1.370984 -0.682291 0.626422
C -1.927274 0.447763 -0.261594
C -0.899177 1.579707 -0.437490
C 0.409363 1.020312 -1.013808
C -0.116030 -2.146902 -1.035619
C 2.374993 -0.299749 -0.185101
C 3.193464 0.680493 0.687681
H 0.478128 -1.738061 1.004526
H -2.056511 -1.552861 0.598471
H -2.205376 0.059486 -1.257439
H -0.697227 2.031762 0.555541
H 0.218655 0.657491 -2.052863
H 1.144988 1.839665 -1.090250
H 0.887806 -2.383438 -1.444933
H -0.727163 -1.715715 -1.845332
H 2.756417 -0.260240 -1.234867
H 2.577702 -1.323827 0.181393
H -1.238549 -0.803851 2.658730
H -3.026999 1.028448 1.284794
H 2.920974 0.555297 1.746922
H 2.984155 1.730991 0.396023
H -2.349348 2.770481 -1.099336
H -0.249181 -3.922987 -0.070045
H 4.964661 0.573947 -0.289508


