%chk=000126438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126438

0 1
 O  -0.3929000       1.967200     -0.3279000    
 O   -5.074500      0.6508000     -7.0799999E-02
 N   4.6999999E-03  -1.466800     -6.4499997E-02
 N   0.5823000     -0.1980000     -0.2220000    
 N   -2.891200      0.6680000      0.1628000    
 N   -4.031600     -2.3000001E-03 -0.1890000    
 C   -1.358300      -1.275100      0.1501000    
 C   -1.715200      1.4600000E-02  5.8400001E-02
 C  -0.4443000      0.7521000     -0.2198000    
 C    1.968100      5.3599998E-02 -6.2799998E-02
 C   0.4841000      -2.558500     -0.9065000    
 C   -2.271700      -2.428900      0.3968000    
 C    2.517700       1.265700     -0.4921000    
 C    2.795900     -0.9079000      0.5253000    
 C   -2.916000       2.060400      0.6627000    
 C    3.881400       1.513700     -0.3352000    
 C    4.159500     -0.6598000      0.6824000    
 C    4.702100      0.5511000      0.2521000    
 H   0.3206000      -3.519000     -0.4069000    
 H    1.548000      -2.491600      -1.146900    
 H  -5.7300001E-02  -2.570200      -1.859700    
 H   -2.602700      -2.868400     -0.5493000    
 H   -3.148100      -2.154200      0.9900000    
 H   -1.754500      -3.206900      0.9694000    
 H    1.919100       2.028300     -0.9796000    
 H    2.407300      -1.847500      0.9074000    
 H   -2.128700       2.239400       1.404100    
 H   -3.857500       2.284200       1.178000    
 H   -2.813900       2.765800     -0.1687000    
 H    4.305500       2.453800     -0.6756000    
 H    4.797700      -1.405700       1.147200    
 H    5.763800      0.7444000      0.3748000    


%chk=000126438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126438

0 1
O -0.222041 2.102862 -0.215134
O -5.157895 0.610232 -0.061129
N 0.013566 -1.450231 -0.063355
N 0.588334 -0.155517 -0.255992
N -2.921105 0.710088 0.248022
N -4.037542 0.011995 -0.253267
C -1.373563 -1.270864 0.101376
C -1.664847 0.091414 0.076775
C -0.430112 0.854507 -0.155648
C 1.994072 0.051737 -0.100831
C 0.545240 -2.539835 -0.918433
C -2.280426 -2.454361 0.257195
C 2.603608 1.143954 -0.768763
C 2.766146 -0.803383 0.727973
C -3.067814 2.038281 0.885056
C 3.987010 1.367821 -0.606295
C 4.152482 -0.577663 0.863139
C 4.770037 0.506747 0.197793
H 0.081734 -3.486253 -0.601288
H 1.634527 -2.618939 -0.786204
H 0.321586 -2.359846 -1.988053
H -2.574004 -2.881939 -0.719899
H -3.214830 -2.140473 0.747423
H -1.801895 -3.246823 0.859629
H 1.992409 1.809204 -1.382569
H 2.276029 -1.609465 1.284373
H -2.272782 2.171336 1.632184
H -4.068499 2.074823 1.347704
H -2.985488 2.843385 0.135464
H 4.454652 2.216435 -1.117196
H 4.745807 -1.239876 1.503351
H 5.845005 0.682945 0.310802


