%chk=000178437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178437

0 1
 O   -1.570000      0.2753000      0.9420000    
 O    3.755800      0.2055000     -0.4767000    
 O   -2.109700     -0.3909000      -1.232200    
 N   -4.775900     -0.4018000     -0.6607000    
 C  -0.2545000      0.2586000      0.5927000    
 C    2.440800      0.2225000     -0.1261000    
 C   0.3450000       1.407400      7.6600000E-02
 C   0.4935000     -0.9083000      0.7495000    
 C    1.692600       1.389300     -0.2828000    
 C    1.841200     -0.9264000      0.3901000    
 C   -3.869400     -2.6600000E-02  0.4154000    
 C   -2.450900     -8.4299996E-02 -9.7599998E-02
 C    4.461700      -1.020400     -0.2902000    
 H  -0.2320000       2.319700     -4.7800001E-02
 H   3.1399999E-02  -1.806100       1.151300    
 H    2.154100       2.287300     -0.6843000    
 H    2.363000      -1.865700      0.5380000    
 H   -4.092800      0.9910000      0.7477000    
 H   -3.980800     -0.7234000       1.250700    
 H    4.051100      -1.820300     -0.9158000    
 H    4.506600      -1.302100      0.7673000    
 H    5.492200     -0.8534000     -0.6205000    
 H   -4.549300      -1.337700     -0.9948000    
 H   -4.651700      0.2262000      -1.453800    


%chk=000178437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178437

0 1
O -1.622576 0.598453 0.111179
O 4.005903 0.254735 0.096659
O -2.408164 -1.589257 -0.291145
N -5.139727 -0.596810 -0.127083
C -0.208665 0.364416 0.078660
C 2.603384 0.215472 0.075841
C 0.558439 1.533134 0.298977
C 0.416449 -0.881049 -0.144832
C 1.959891 1.460629 0.297869
C 1.830170 -0.949434 -0.145115
C -3.999465 0.296267 0.042921
C -2.614727 -0.377118 -0.072005
C 4.720024 -1.005167 -0.122686
H 0.043109 2.483118 0.468588
H -0.179764 -1.777993 -0.314604
H 2.574558 2.349484 0.465981
H 2.305975 -1.918865 -0.319410
H -4.038142 1.111098 -0.703705
H -4.048198 0.793733 1.029401
H 4.496857 -1.425895 -1.122590
H 4.470631 -1.750390 0.657732
H 5.786776 -0.745259 -0.059768
H -5.214853 -1.316114 0.598654
H -5.205883 -1.011788 -1.061520


