%chk=000178668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178668

0 1
 O   -2.822200      -2.039800      0.6902000    
 O   -4.134500      2.8200001E-02   1.805100    
 O   -3.831400       1.364100      -1.574800    
 N    2.614100      -3.027000     -0.2992000    
 C   -3.722900      -1.313400     -0.1529000    
 C   -2.253900      -1.434300     -0.4811000    
 C   -4.234700     -1.0800000E-02  0.3820000    
 C   -1.360000     -0.2307000     -0.2665000    
 C   -3.471900       1.187700     -0.2062000    
 C   -1.964900       1.039900     -0.1414000    
 C   6.1299998E-02 -0.3367000     -0.1847000    
 C   -1.173700       2.174200      1.8999999E-02
 C   0.8755000      0.8185000     -9.4999997E-03
 C   0.2132000       2.062100      8.2900003E-02
 C   0.6962000      -1.586600     -0.2726000    
 C    2.310700      0.6879000      6.5099999E-02
 C    2.894800     -0.5992000     -3.2900002E-02
 C    2.080300      -1.716900     -0.1991000    
 C    3.207900       1.774500      0.2345000    
 C    4.289000     -0.7658000      3.6499999E-02
 C    4.593100       1.597800      0.3023000    
 C    5.134100      0.3262000      0.2032000    
 H   -4.440100      -1.868600     -0.7405000    
 H   -2.018500      -2.087300      -1.316300    
 H   -5.299100      6.6799998E-02  0.1308000    
 H   -3.763600       2.096900      0.3349000    
 H   -1.628600       3.158300      9.9900000E-02
 H   -4.528900      0.8651000       2.104700    
 H   0.7662000       2.988700      0.2129000    
 H   0.1041000      -2.492100     -0.3977000    
 H   -4.792400       1.508100      -1.609400    
 H    2.845400       2.795700      0.3186000    
 H    4.776500      -1.732800     -3.4299999E-02
 H    3.601900      -3.221200     -0.2551000    
 H    1.979100      -3.806300     -0.4197000    
 H    5.243000       2.458100      0.4326000    
 H    6.209100      0.1835000      0.2552000    


%chk=000178668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178668

0 1
O -2.792818 -2.118295 0.698394
O -4.219337 -0.032829 1.834467
O -3.802369 1.348278 -1.659732
N 2.600980 -3.084877 -0.253022
C -3.702237 -1.309197 -0.180728
C -2.251750 -1.374035 -0.536538
C -4.269941 0.005915 0.370785
C -1.380042 -0.197031 -0.269385
C -3.485848 1.213742 -0.213402
C -1.982093 1.065795 -0.109887
C 0.048402 -0.343016 -0.179587
C -1.170335 2.209278 0.112590
C 0.867980 0.829161 0.016517
C 0.224041 2.092260 0.163096
C 0.665645 -1.636559 -0.261420
C 2.324302 0.670647 0.068514
C 2.918215 -0.638483 -0.052878
C 2.048303 -1.806941 -0.191659
C 3.199466 1.789798 0.227722
C 4.341468 -0.764442 -0.026700
C 4.591775 1.642857 0.261543
C 5.172098 0.351955 0.128638
H -4.408972 -1.925886 -0.748769
H -1.946681 -2.061568 -1.335507
H -5.326901 0.098642 0.028197
H -3.802643 2.138611 0.320965
H -1.643573 3.191364 0.226412
H -4.513571 0.848667 2.182571
H 0.817560 2.996386 0.325252
H 0.027424 -2.523545 -0.334207
H -4.764358 1.576896 -1.756776
H 2.779749 2.795299 0.321602
H 4.815739 -1.745101 -0.144833
H 3.590204 -3.251979 -0.108664
H 1.990715 -3.893274 -0.333518
H 5.232983 2.522463 0.383716
H 6.260618 0.231845 0.142732


