%chk=000140929.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140929

0 1
 O   -2.129900      0.3837000      0.7439000    
 O   -1.580900      0.2682000      -1.497100    
 N    1.681600     -0.4262000      -1.002500    
 N   0.6301000      -1.114800      -1.011500    
 C    1.742600      0.4706000      0.1696000    
 C   0.6893000     -9.0400003E-02   1.117300    
 C  -0.2190000     -0.8328000      0.1568000    
 C    1.442700       1.900200     -0.2858000    
 C    3.144000      0.3953000      0.7733000    
 C  -0.7549000      -2.136200      0.7298000    
 C   -1.373600     -3.8999999E-03 -0.3223000    
 C   -3.271900       1.186400      0.4283000    
 H   0.1954000      0.6883000       1.707500    
 H    1.146400     -0.7927000       1.826000    
 H   0.4706000       1.982300     -0.7804000    
 H    1.446600       2.591600      0.5638000    
 H    2.193300       2.246200      -1.005800    
 H    3.900100      0.7429000      6.0199998E-02
 H    3.218600       1.010700       1.676300    
 H    3.407300     -0.6345000       1.041000    
 H   6.0199998E-02  -2.832500      0.9585000    
 H   -1.323200      -1.970500       1.651800    
 H   -1.419100      -2.639800      1.7300000E-02
 H   -2.958100       2.119000     -5.0200000E-02
 H   -3.786900       1.426900       1.362200    
 H   -3.957900      0.6312000     -0.2184000    


%chk=000140929-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000140929

0 1
O -2.713079 -0.280521 0.180490
O -1.485374 1.689014 0.282680
N 1.332269 -0.320865 -1.097386
N 0.183547 -0.825956 -0.888802
C 1.888300 0.501552 0.076532
C 0.856137 0.268796 1.232431
C -0.334504 -0.483311 0.587964
C 1.949378 1.970398 -0.407292
C 3.297350 -0.044809 0.387144
C -0.696838 -1.830478 1.235467
C -1.536934 0.436684 0.359385
C -3.912135 0.526207 -0.155599
H 0.536478 1.229070 1.665665
H 1.303218 -0.349688 2.029633
H 0.934745 2.378571 -0.552371
H 2.471901 2.588802 0.345024
H 2.504342 2.038173 -1.359414
H 3.953783 0.051763 -0.494834
H 3.746365 0.526048 1.220026
H 3.259454 -1.110802 0.675266
H 0.207534 -2.458742 1.319831
H -1.115324 -1.679966 2.246378
H -1.443226 -2.363513 0.627153
H -4.124840 1.247368 0.651259
H -4.722554 -0.208368 -0.258806
H -3.746593 1.073772 -1.098225


