%chk=000101452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101452

0 1
 O   -3.016500      -2.288000     -0.3605000    
 O   -3.032100       2.251000      0.4383000    
 N   -2.989700     -2.2600001E-02  6.2899999E-02
 C  -0.2465000     -6.3100003E-02  0.3444000    
 C  -0.8929000      -1.184700     -0.4700000    
 C  -0.9010000       1.265500     -3.6699999E-02
 C    1.259300     -2.5699999E-02  0.1700000    
 C   -2.384800      -1.239100     -0.2367000    
 C   -2.393300       1.227000      0.1979000    
 C    2.077000     -0.7611000       1.026300    
 C    1.822700      0.7443000     -0.8460000    
 C    3.462300     -0.7263000      0.8662000    
 C    3.207900      0.7790000      -1.006200    
 C    4.027700      4.3699998E-02 -0.1501000    
 H  -0.4604000     -0.2372000       1.409500    
 H  -0.4679000      -2.154100     -0.1835000    
 H  -0.7212000      -1.050000      -1.544800    
 H  -0.7816000       1.509700      -1.098000    
 H  -0.4815000       2.086500      0.5569000    
 H   -3.995900     -5.0900001E-02  0.2033000    
 H    1.648400      -1.366500       1.820400    
 H    1.227300       1.312900      -1.551200    
 H    4.100600      -1.299600       1.532200    
 H    3.648700       1.373900      -1.801000    
 H    5.106200      6.9600001E-02 -0.2757000    


%chk=000101452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101452

0 1
O -3.140722 -2.149760 -0.854210
O -3.124985 2.160699 0.842850
N -3.050260 -0.000267 0.008176
C -0.247649 -0.148850 0.359143
C -0.921375 -1.104960 -0.661050
C -0.912650 1.250526 0.266303
C 1.266547 -0.077619 0.167215
C -2.437861 -1.160187 -0.521155
C -2.429208 1.205246 0.410197
C 2.140068 -0.482310 1.207382
C 1.832487 0.394254 -1.046562
C 3.543013 -0.418786 1.043947
C 3.232453 0.458909 -1.214410
C 4.094293 0.052257 -0.168648
H -0.444927 -0.547387 1.374312
H -0.541883 -2.135580 -0.562334
H -0.689612 -0.782272 -1.696026
H -0.680367 1.719199 -0.711243
H -0.526506 1.934576 1.040237
H -4.073996 -0.032119 0.098494
H 1.719253 -0.849411 2.151843
H 1.181641 0.715589 -1.869970
H 4.201925 -0.735779 1.859950
H 3.652248 0.825664 -2.157782
H 5.180874 0.102567 -0.298759


