%chk=000013049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013049

0 1
 O   -1.438600      -1.858500     -0.4757000    
 N   -3.492100     -0.1222000      0.4816000    
 N    4.376100      0.3403000      0.2257000    
 C   -2.072600      0.1763000      0.7093000    
 C   -1.223600     -0.4455000     -0.4224000    
 C   0.2658000     -0.2366000     -0.2502000    
 C   -1.917300       1.696000      0.7931000    
 C   0.9808000      0.3889000      -1.256500    
 C   0.8791000     -0.6757000      0.9098000    
 C   -3.951000      0.4945000     -0.7507000    
 C    2.353300      0.5810000      -1.097700    
 C    2.251500     -0.4834000       1.068800    
 C    2.988600      0.1448000      6.4900003E-02
 H   -1.816700     -0.2615000       1.680900    
 H   -1.499200     -4.7800001E-02  -1.403300    
 H  -0.9552000       1.945000       1.256200    
 H   -1.924800       2.186100     -0.1862000    
 H   -2.690400       2.150100       1.423900    
 H   -3.624200      -1.131400      0.4226000    
 H   0.4989000      0.7343000      -2.166400    
 H   0.3234000      -1.175700       1.697200    
 H   -1.681800      -2.170000      0.4123000    
 H   -3.497800      8.5600004E-02  -1.656600    
 H   -3.891300       1.585800     -0.7593000    
 H   -5.021500      0.2736000     -0.8442000    
 H    2.916600       1.072400      -1.887000    
 H    2.735500     -0.8294000       1.978500    
 H    4.837900      2.2600001E-02   1.067400    
 H    4.911200      0.7939000     -0.5028000    


%chk=000013049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013049

0 1
O -1.635076 -1.870587 -0.193436
N -3.536972 -0.015022 0.584854
N 4.457777 0.292475 0.337403
C -2.097703 0.331873 0.654340
C -1.231239 -0.450859 -0.391353
C 0.263679 -0.270815 -0.216064
C -1.869710 1.851401 0.549118
C 1.040582 0.431931 -1.171262
C 0.928903 -0.789788 0.928184
C -4.287090 0.434027 -0.605896
C 2.424694 0.626593 -0.996637
C 2.311036 -0.607964 1.115749
C 3.085058 0.109026 0.155237
H -1.748650 -0.004508 1.651795
H -1.522038 -0.126118 -1.415049
H -0.819617 2.102984 0.774962
H -2.097054 2.236535 -0.462606
H -2.523469 2.371144 1.271002
H -3.638329 -1.030513 0.718443
H 0.553634 0.836892 -2.067923
H 0.351304 -1.352023 1.671091
H -0.993283 -2.444144 -0.683232
H -3.877463 0.084024 -1.584151
H -4.334397 1.536948 -0.633804
H -5.325117 0.063732 -0.528300
H 3.001558 1.174258 -1.752342
H 2.802902 -1.021204 2.005488
H 4.927455 -0.074694 1.159434
H 5.009226 0.807899 -0.341849


