%chk=000080492.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080492

0 1
 O   0.8587000      -2.389300      0.6769000    
 O   -3.021900       1.647000      0.2820000    
 O    2.819300      1.0700000E-02  0.8423000    
 O    2.748500      0.3299000      -1.335700    
 N  -0.8022000       2.223000      0.2435000    
 N    2.238000      0.2953000     -0.2106000    
 N   -3.360600      -1.852600     -0.2975000    
 C  -0.1553000     -0.4360000     -0.2403000    
 C   0.8488000      0.6142000     -0.1187000    
 C   0.5347000       1.901200      0.1115000    
 C   -1.460500     -0.1090000     -0.1102000    
 C   0.3202000      -1.845000     -0.5090000    
 C   -1.842900       1.319400      0.1552000    
 C    1.457800       3.083100      0.2381000    
 C   -2.508200      -1.070300     -0.2133000    
 C    1.325700      -3.721700      0.4858000    
 H    1.069700      -1.853700      -1.310200    
 H  -0.4946000      -2.488700     -0.8589000    
 H   -1.034200       3.197000      0.4181000    
 H    1.212800       3.837000     -0.5181000    
 H    2.512600       2.825900      0.1094000    
 H    1.351000       3.540900       1.227600    
 H    1.732200      -4.081600       1.434600    
 H    2.119900      -3.743700     -0.2666000    
 H   0.5018000      -4.376700      0.1865000    


%chk=000080492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080492

0 1
O 0.885823 -2.287842 0.731616
O -3.104095 1.919594 -0.064098
O 3.026881 0.545121 0.675091
O 2.506882 -0.717089 -1.151534
N -0.806071 2.236953 0.155855
N 2.180620 0.068782 -0.176488
N -3.641547 -1.652955 -0.589014
C -0.283393 -0.463007 -0.277759
C 0.776316 0.490171 -0.074591
C 0.511866 1.846811 0.168091
C -1.610596 -0.012120 -0.270424
C 0.039422 -1.938676 -0.415806
C -1.952769 1.405969 -0.070752
C 1.538711 2.922142 0.423145
C -2.714107 -0.912543 -0.440977
C 1.718198 -3.470288 0.477105
H 0.583991 -2.111905 -1.366257
H -0.888419 -2.541456 -0.410014
H -1.037643 3.224463 0.314470
H 1.093391 3.925189 0.306982
H 2.397462 2.835464 -0.262098
H 1.949111 2.824792 1.442741
H 2.290628 -3.635775 1.402327
H 2.413075 -3.282065 -0.366150
H 1.097561 -4.363430 0.260937


