%chk=000075388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075388

0 1
 O   -1.153900     -0.5841000      0.8817000    
 O    1.722500      -3.246500     -0.2456000    
 O  -0.3486000      -2.861100      0.3719000    
 O    4.237000       2.428600     -0.2187000    
 O    4.863800      0.3694000     -0.6500000    
 N   0.8094000      -2.461900      0.1043000    
 N    3.990100       1.201500     -0.3057000    
 C   0.1288000     -0.1590000      0.5819000    
 C   -2.176800     -8.3099999E-02  0.1340000    
 C   -3.207900      0.6425000      0.7305000    
 C    1.096800      -1.072400      0.2011000    
 C   0.4083000       1.194200      0.6762000    
 C    2.382700     -0.6196000     -9.4499998E-02
 C    2.681200      0.7401000     -4.6999999E-03
 C    1.693900       1.646900      0.3805000    
 C   -2.185100     -0.3029000      -1.243600    
 C   -4.247200       1.148400     -5.0400000E-02
 C   -3.215600      0.8876000       2.203400    
 C   -3.224200      0.2030000      -2.024400    
 C   -4.255200      0.9286000      -1.427900    
 H  -0.3450000       1.912700      0.9845000    
 H    3.154400      -1.324400     -0.3953000    
 H    1.890800       2.712700      0.4633000    
 H   -1.396900     -0.8736000      -1.726800    
 H   -5.057300       1.716800      0.3987000    
 H   -3.082700     -5.1700000E-02   2.750700    
 H   -2.413500       1.579500       2.478300    
 H   -4.163100       1.323500       2.538000    
 H   -3.231700      3.0200001E-02  -3.096700    
 H   -5.064400       1.322300      -2.036100    


%chk=000075388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075388

0 1
O -1.173608 -0.856862 -0.202353
O 1.803518 -3.363830 0.705596
O -0.218853 -2.736323 1.560476
O 4.286940 2.455562 -0.034326
O 4.999184 0.420353 0.719834
N 0.875146 -2.494122 0.926414
N 4.080935 1.224475 0.299950
C 0.069925 -0.280602 -0.027729
C -2.312030 -0.026225 -0.508411
C -3.049502 0.511950 0.574508
C 1.126151 -1.107579 0.462347
C 0.364388 1.064953 -0.375576
C 2.444092 -0.631308 0.549062
C 2.700352 0.705765 0.193578
C 1.670394 1.562358 -0.259896
C -2.693042 0.112319 -1.855180
C -4.219602 1.239897 0.237890
C -2.609332 0.297344 2.008446
C -3.863815 0.844316 -2.156420
C -4.623028 1.410805 -1.106496
H -0.439194 1.703700 -0.752044
H 3.251005 -1.282373 0.895378
H 1.912585 2.595138 -0.523644
H -2.092019 -0.356127 -2.640690
H -4.823471 1.667633 1.046367
H -2.318695 -0.753674 2.182078
H -1.727845 0.919100 2.259171
H -3.415608 0.564506 2.711032
H -4.180293 0.962400 -3.197677
H -5.534077 1.974654 -1.333083


