%chk=000001052.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001052

0 1
 O    1.617100       1.857300     -0.5127000    
 O   -2.884400      -1.280500     -0.9392000    
 N    1.331400      -1.682300      0.3209000    
 N   -1.474900       2.450900      0.8991000    
 C  -0.3291000      0.5255000     -0.1062000    
 C  -0.8801000     -0.7120000      0.2078000    
 C    1.051100      0.6604000     -0.2068000    
 C   -1.214400       1.708400     -0.3338000    
 C    1.830400     -0.4638000      1.4000000E-02
 C   -2.350900     -0.9146000      0.3281000    
 C  -1.4500000E-02  -1.774900      0.4099000    
 C    3.318400     -0.3744000     -8.1200004E-02
 H  -0.7586000       2.388400      -1.064200    
 H   -2.163200       1.419100     -0.7981000    
 H   -2.569000      -1.728000       1.030100    
 H   -2.887000     -4.1900001E-02  0.7101000    
 H  -0.3824000      -2.766400      0.6554000    
 H    3.713100      0.3325000      0.6555000    
 H    3.778600      -1.347900      0.1210000    
 H    3.625900     -7.0799999E-02  -1.087100    
 H   -2.076500       3.246700      0.6898000    
 H  -0.6026000       2.844000       1.251400    
 H    2.583900       1.792500     -0.5463000    
 H   -2.293100      -1.935800      -1.346900    


%chk=000001052-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001052

0 1
O 1.688265 1.856738 -0.656993
O -3.040278 -0.839554 -0.890706
N 1.407567 -1.689657 0.427821
N -1.760432 2.278139 0.819825
C -0.281862 0.551334 -0.146924
C -0.831894 -0.696288 0.267452
C 1.127001 0.626309 -0.260208
C -1.166275 1.756274 -0.440046
C 1.949779 -0.505130 0.027139
C -2.329476 -0.881690 0.413015
C 0.049131 -1.767245 0.543967
C 3.458455 -0.427838 -0.099244
H -0.577865 2.509740 -1.001842
H -2.000774 1.418936 -1.080679
H -2.547263 -1.833206 0.939782
H -2.756371 -0.037168 0.977032
H -0.344990 -2.736209 0.874443
H 3.900822 0.318496 0.591570
H 3.878193 -1.412312 0.157108
H 3.783434 -0.178972 -1.130089
H -2.563788 2.895590 0.665863
H -1.070502 2.697571 1.451529
H 2.673695 1.786161 -0.710784
H -2.675372 -1.557619 -1.468431


