%chk=000056615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056615

0 1
 O  -0.7462000     -0.8169000      -1.768600    
 N    1.093500      -1.397100      0.2287000    
 N  -0.1664000     -0.9784000      0.4756000    
 N   -4.886600      0.7375000      0.4889000    
 C    2.180200     -0.5793000      4.0500000E-02
 C    1.479800      -2.708600      0.1347000    
 C    2.110500      0.8611000      7.4900001E-02
 C    3.276800      -1.388300     -0.1779000    
 C    2.833600      -2.732700     -0.1181000    
 C   0.5299000      -3.829900      0.2955000    
 C    1.853300       1.574500      -1.095800    
 C    2.301100       1.540900       1.278200    
 C   -1.031700     -0.6949000     -0.5799000    
 C   -2.379400     -0.1932000     -0.2057000    
 C    1.786800       2.967400      -1.063600    
 C    2.234400       2.933800       1.310300    
 C    1.977300       3.646900      0.1393000    
 C   -3.060800      0.6083000      -1.090500    
 C   -2.906300     -0.5461000       1.013900    
 C   -4.313700       1.048800     -0.6954000    
 C   -4.166100     -5.4000001E-02   1.314900    
 H    4.288000      -1.050500     -0.3612000    
 H    3.438700      -3.619600     -0.2456000    
 H  -0.3880000     -0.8229000       1.453200    
 H  -0.2297000      -3.812400     -0.4926000    
 H    1.046700      -4.793500      0.2388000    
 H   2.5900001E-02  -3.779800       1.266300    
 H    1.702800       1.060100      -2.042100    
 H    2.501700      0.9997000       2.199800    
 H    1.586400       3.522700      -1.975100    
 H    2.382300       3.463300       2.247000    
 H    1.925300       4.731400      0.1645000    
 H   -2.658200      0.9002000      -2.053400    
 H   -2.413100      -1.197700       1.724700    
 H   -4.908000       1.685900      -1.342200    
 H   -4.647300     -0.2971000       2.256600    


%chk=000056615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056615

0 1
O -0.800280 -1.059759 -1.919076
N 1.104585 -1.344975 0.154679
N -0.203621 -0.893449 0.335246
N -5.129097 0.575838 0.277578
C 2.263149 -0.525867 0.227998
C 1.457068 -2.712088 0.132933
C 2.230085 0.944672 0.247847
C 3.352114 -1.408701 0.248834
C 2.853882 -2.756666 0.176880
C 0.424809 -3.795425 0.046295
C 1.333595 1.691068 -0.570965
C 3.144765 1.656762 1.074989
C -1.109170 -0.790964 -0.724835
C -2.488842 -0.327676 -0.325301
C 1.343818 3.101820 -0.545353
C 3.161706 3.067291 1.086612
C 2.254688 3.798321 0.283422
C -3.289993 0.293089 -1.314863
C -3.042244 -0.505238 0.968397
C -4.587204 0.728421 -0.969918
C -4.354077 -0.040619 1.217825
H 4.397062 -1.102126 0.247454
H 3.450019 -3.667057 0.137372
H -0.433354 -0.517719 1.259023
H -0.155374 -3.727518 -0.893346
H 0.920960 -4.779033 0.070400
H -0.295713 -3.759701 0.886372
H 0.670916 1.165790 -1.266895
H 3.830253 1.093184 1.718010
H 0.652651 3.658710 -1.188119
H 3.874276 3.596299 1.729540
H 2.262491 4.893736 0.297798
H -2.896836 0.416062 -2.328217
H -2.500335 -1.026010 1.765507
H -5.229751 1.217712 -1.709760
H -4.813502 -0.168585 2.204237


