%chk=000088639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088639

0 1
 O    2.677800       1.016600      0.2947000    
 N    1.527000     -0.8498000     -0.2594000    
 C  -0.7694000      4.1800000E-02  1.4400000E-02
 C   0.6612000      0.1631000      4.5100000E-02
 C   -1.558000       1.154000     -0.2800000    
 C   -1.370300      -1.188800      0.2792000    
 C    2.702800     -0.2874000     -9.4599999E-02
 C    1.347700       1.297600      0.3819000    
 C   -2.947600       1.035400     -0.3099000    
 C   -2.759800      -1.307400      0.2492000    
 C   -3.548500     -0.1952000     -4.5400001E-02
 C    4.037100     -0.8799000     -0.2752000    
 H   -1.121300       2.124500     -0.5014000    
 H  -0.7756000      -2.068300      0.5146000    
 H    1.093800       2.302200      0.6874000    
 H   -3.561900       1.900600     -0.5416000    
 H   -3.227900      -2.265300      0.4561000    
 H   -4.630400     -0.2876000     -6.9100000E-02
 H    4.598200     -0.3373000      -1.041800    
 H    4.603300     -0.8445000      0.6602000    
 H    3.958100      -1.925800     -0.5866000    


%chk=000088639-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088639

0 1
O 2.786058 1.105032 -0.056005
N 1.547278 -0.814190 -0.024038
C -0.802029 0.129278 -0.013244
C 0.657857 0.307227 -0.027595
C -1.686135 1.242817 -0.013328
C -1.348610 -1.182192 0.001186
C 2.773752 -0.321325 -0.042103
C 1.421175 1.464451 -0.046902
C -3.082201 1.047750 -0.000299
C -2.746065 -1.374094 0.014290
C -3.619986 -0.261737 0.013377
C 4.090461 -1.017187 -0.048857
H -1.285957 2.263628 -0.022954
H -0.659848 -2.032553 0.002332
H 1.212332 2.528332 -0.054522
H -3.752367 1.914719 -0.000418
H -3.154094 -2.390934 0.024969
H -4.705312 -0.411056 0.023576
H 4.674106 -0.759358 -0.950447
H 4.695233 -0.736077 0.831554
H 3.920650 -2.104030 -0.032773


