%chk=000112851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112851

1 1
 O    1.046300       1.850600     -7.6800004E-02
 N    1.625000     -0.3243000      0.2358000    
 C   0.2513000     -0.2588000      0.1491000    
 C  -0.1026000       1.078500     -4.2900000E-02
 C    2.033000      0.9175000      9.9399999E-02
 C    2.433500      -1.487800      0.4333000    
 C  -0.7188000      -1.255700      0.2221000    
 C   -2.053100     -0.8436000      9.3099996E-02
 C   -2.391900      0.5054000     -9.9699996E-02
 C   -1.416300       1.508900     -0.1732000    
 C    3.418000       1.406200      0.1173000    
 C    2.825300      -2.118900     -0.8892000    
 C   -3.122900      -1.887700      0.1648000    
 C   -3.826900      0.9099000     -0.2329000    
 H    3.332600      -1.221700       1.000500    
 H    1.887200      -2.213100       1.046500    
 H  -0.4559000      -2.297400      0.3684000    
 H   -1.658300       2.554400     -0.3213000    
 H    3.872300       1.237500       1.098200    
 H    4.021400      0.8933000     -0.6372000    
 H    3.463600       2.479400     -9.2799999E-02
 H    1.939000      -2.419100      -1.457400    
 H    3.441500      -3.007200     -0.7208000    
 H    3.394900      -1.418500      -1.507800    
 H   -2.703900      -2.888200      0.3196000    
 H   -3.799900      -1.690100       1.002200    
 H   -3.694300      -1.919500     -0.7685000    
 H   -4.386100      0.6525000      0.6724000    
 H   -3.931400       1.990800     -0.3792000    
 H   -4.286700      0.4225000      -1.098700    


%chk=000112851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112851

1 1
O 1.094246 1.876039 -0.037746
N 1.689495 -0.262206 0.254478
C 0.266225 -0.257975 0.149020
C -0.103392 1.090551 -0.030829
C 2.143809 1.007210 0.136528
C 2.531055 -1.483189 0.411638
C -0.712031 -1.266582 0.207101
C -2.066227 -0.875317 0.076038
C -2.424151 0.515087 -0.111442
C -1.423908 1.518511 -0.164980
C 3.534201 1.522397 0.186012
C 2.706282 -2.242255 -0.917603
C -3.152772 -1.928699 0.134978
C -3.878889 0.909341 -0.250638
H 3.505733 -1.169459 0.820328
H 2.041691 -2.115383 1.172292
H -0.454574 -2.319844 0.349674
H -1.677646 2.572163 -0.302277
H 3.974843 1.397079 1.192553
H 4.186902 1.002438 -0.537009
H 3.532351 2.596176 -0.054154
H 1.738760 -2.565295 -1.336951
H 3.316163 -3.143801 -0.737851
H 3.224608 -1.627086 -1.672913
H -2.736430 -2.938504 0.278827
H -3.857620 -1.733081 0.964382
H -3.753822 -1.940294 -0.793241
H -4.464885 0.604924 0.636466
H -3.996556 1.997150 -0.375880
H -4.347558 0.415702 -1.122500


