%chk=000128887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128887

0 1
 O    3.056000       2.854700      0.5357000    
 O  -0.7233000      -1.371900     -0.8970000    
 O    2.996400      -2.445500     -0.8465000    
 O    2.253200      -1.724700       1.184300    
 O   -2.494000      0.6562000      -2.328000    
 N   0.7833000      0.1874000     -8.7800004E-02
 N   -2.823900      0.1234000     -0.3422000    
 N   -3.124900      0.9520000      -1.308400    
 C    1.953400     -0.3416000     -0.7757000    
 C   -1.594900      0.4043000      0.4096000    
 C    2.978400      0.7810000     -0.7075000    
 C    1.111300       1.397600      0.6613000    
 C    2.629000       1.507800      0.5913000    
 C   -1.841700     -0.1237000       1.823300    
 C  -0.4847000     -0.3465000     -0.2567000    
 C   -3.176800     -0.8463000       1.737500    
 C   -3.896700     -0.1095000      0.6237000    
 C    2.400000      -1.554700     -1.6899999E-02
 H    1.683500     -0.6199000      -1.799900    
 H   -1.403700       1.481700      0.4523000    
 H    4.016000      0.4313000     -0.7124000    
 H    2.858900       1.459900      -1.561400    
 H   0.7497000       1.319400       1.691000    
 H   0.6255000       2.255800      0.1840000    
 H    3.092500       1.015400       1.453700    
 H   -1.933200      0.7192000       2.519400    
 H   -1.055400     -0.7874000       2.197800    
 H   -3.018400      -1.896800       1.463300    
 H   -3.725200     -0.8175000       2.683500    
 H   -4.710400     -0.7131000      0.2072000    
 H   -4.314300      0.8317000       1.006200    
 H    4.020200       2.850400      0.4098000    
 H    3.297600      -3.247000     -0.3678000    


%chk=000128887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128887

0 1
O 3.021421 3.006639 -0.296701
O -0.651490 -1.582472 -0.167023
O 3.170144 -2.527620 -0.452211
O 2.456950 -1.578687 1.547031
O -1.606568 2.196897 -1.141724
N 0.779653 0.217533 0.061479
N -2.712593 0.647434 0.014240
N -2.723930 1.548842 -0.997985
C 1.851801 -0.526155 -0.632921
C -1.560553 0.409883 0.939359
C 2.859046 0.589308 -1.025387
C 1.181663 1.599934 0.427266
C 2.691857 1.638960 0.104303
C -2.227613 -0.425921 2.067475
C -0.444858 -0.386363 0.225370
C -3.384146 -1.185205 1.357445
C -3.916191 -0.172331 0.315783
C 2.483646 -1.568541 0.299325
H 1.449514 -1.064887 -1.505962
H -1.187561 1.388594 1.283299
H 3.889211 0.212800 -1.136727
H 2.538720 1.047209 -1.978103
H 0.995425 1.807620 1.494365
H 0.640917 2.338931 -0.191853
H 3.283141 1.337755 0.993651
H -2.623825 0.257991 2.840625
H -1.509718 -1.113091 2.542445
H -2.972383 -2.068581 0.843615
H -4.172001 -1.506346 2.058752
H -4.290871 -0.645734 -0.605876
H -4.710986 0.475836 0.731106
H 4.004506 3.110595 -0.346280
H 3.581071 -3.197726 0.158520


