%chk=000009692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009692

0 1
 O    1.159400       1.536400      0.8002000    
 N    4.417200     -0.8710000     -0.5235000    
 N   -1.157900       2.246800     -0.3695000    
 C    2.054600     -0.5956000      0.1182000    
 C  -0.4767000     -3.3900000E-02  0.1784000    
 C   0.9022000      0.3865000      0.3936000    
 C    3.351400      9.8700002E-02 -0.2978000    
 C   -1.464400      0.8791000     -0.1914000    
 C  -0.8002000      -1.380000      0.3496000    
 C   -2.775400      0.4459000     -0.3900000    
 C   -2.111300      -1.812900      0.1510000    
 C   -3.098900     -0.9000000     -0.2187000    
 H    1.753500      -1.280300     -0.6837000    
 H    2.215100      -1.179100       1.032700    
 H    3.186300      0.6841000      -1.209500    
 H    3.671000      0.7988000      0.4818000    
 H  -5.9500001E-02  -2.114100      0.6538000    
 H   -3.555000       1.146700     -0.6780000    
 H   -2.364300      -2.860200      0.2882000    
 H   -4.119800      -1.237200     -0.3722000    
 H    5.250900     -0.3862000     -0.8527000    
 H    4.145900      -1.511200      -1.268800    
 H  -0.2132000       2.586400     -0.2557000    
 H   -1.888100       2.891900     -0.6421000    


%chk=000009692-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009692

0 1
O 1.223283 1.718291 -0.256344
N 4.488847 -0.982944 -0.130146
N -1.334037 2.311955 -0.250559
C 2.059960 -0.558511 -0.132378
C -0.476887 0.009383 -0.102955
C 0.925844 0.468670 -0.171454
C 3.458056 0.068421 -0.279774
C -1.572591 0.959711 -0.147225
C -0.789762 -1.380049 0.011232
C -2.916658 0.467604 -0.081834
C -2.110282 -1.844666 0.076312
C -3.177139 -0.903433 0.026963
H 1.898723 -1.313056 -0.930314
H 2.030770 -1.117293 0.823946
H 3.507474 0.629050 -1.240771
H 3.600251 0.815467 0.520385
H 0.029387 -2.104876 0.053506
H -3.744616 1.186428 -0.116781
H -2.320423 -2.914862 0.165121
H -4.215176 -1.252421 0.075676
H 5.433408 -0.619297 0.028940
H 4.478124 -1.683655 -0.879398
H -0.346087 2.607848 -0.286442
H -2.107671 2.971833 -0.281804


