%chk=000114844.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114844

0 1
 O   -1.310800      0.4624000      -1.495000    
 O    2.691400      -2.469500     -0.4593000    
 O    1.565600      -1.975000       1.483800    
 N   0.1237000      3.6100000E-02  0.2786000    
 N   -1.471600       2.620800      0.7937000    
 C    1.144600     -0.6405000     -0.4869000    
 C    2.179700      0.3441000      -1.044800    
 C   -1.935500       1.235000      0.7144000    
 C   -3.411800       1.218500      0.2960000    
 C    2.994400       1.065900      3.6800001E-02
 C   -3.966500     -0.2076000      0.1966000    
 C   -1.033800      0.5370000     -0.2996000    
 C    3.966600       2.070700     -0.5835000    
 C   -5.456500     -0.2001000     -0.1468000    
 C    1.811800      -1.759600      0.3014000    
 C    4.751100       2.817900      0.4833000    
 C   -6.005700      -1.611900     -0.2750000    
 C    3.363200      -3.543900      0.2063000    
 H   0.6414000      -1.128000      -1.332000    
 H    2.870300     -0.1853000      -1.713200    
 H    1.664600       1.092800      -1.660600    
 H   -1.830200      0.7583000       1.696100    
 H   -3.541700       1.720500     -0.6720000    
 H   -4.004200       1.782800       1.028100    
 H    3.557200      0.3380000      0.6327000    
 H    2.320100       1.593500      0.7216000    
 H   -3.426400     -0.7775000     -0.5673000    
 H   -3.815400     -0.7260000       1.151400    
 H   0.2795000      0.1657000       1.274200    
 H    3.415100       2.794700      -1.194600    
 H    4.665900       1.550200      -1.248100    
 H   -6.015300      0.3349000      0.6296000    
 H   -5.618300      0.3343000      -1.090200    
 H   -2.044300       3.135700       1.461500    
 H  -0.5209000       2.641800       1.161600    
 H    5.338500       2.125700       1.094900    
 H    4.080900       3.376900       1.144100    
 H    5.440600       3.529300      1.8100001E-02
 H   -5.886200      -2.165700      0.6617000    
 H   -7.072300      -1.583100     -0.5190000    
 H   -5.490600      -2.163000      -1.068300    
 H    4.031200      -4.024600     -0.5134000    
 H    2.638000      -4.282800      0.5602000    
 H    3.961200      -3.158900       1.037700    


%chk=000114844-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114844

0 1
O -1.141412 0.557041 -1.367965
O 2.808627 -2.550816 -0.378063
O 1.809821 -1.958616 1.639355
N 0.141197 -0.192465 0.413174
N -1.377691 2.409971 1.281322
C 1.168053 -0.793640 -0.446911
C 2.125950 0.260174 -1.087005
C -1.902878 1.069578 0.951399
C -3.339088 1.188361 0.404392
C 2.942402 1.082122 -0.069017
C -4.038741 -0.173108 0.203310
C -0.960388 0.455383 -0.116755
C 3.844753 2.132220 -0.757159
C -5.484205 -0.025120 -0.322775
C 1.933144 -1.809793 0.398284
C 4.657905 2.976580 0.247327
C -6.191193 -1.382630 -0.524613
C 3.626718 -3.556799 0.347225
H 0.667224 -1.325084 -1.280218
H 2.805908 -0.276487 -1.775489
H 1.492510 0.929269 -1.697649
H -1.920306 0.379335 1.835167
H -3.288256 1.730205 -0.558048
H -3.934415 1.806559 1.109725
H 3.574450 0.409969 0.548803
H 2.252035 1.597276 0.629004
H -3.453424 -0.779699 -0.515469
H -4.055682 -0.734350 1.161966
H 0.221940 -0.370179 1.419625
H 3.214039 2.799078 -1.379118
H 4.535725 1.617188 -1.455390
H -6.070611 0.597338 0.384388
H -5.463236 0.528932 -1.282833
H -2.058305 3.049537 1.696650
H -0.456494 2.439669 1.723356
H 5.317530 2.336591 0.863463
H 3.988108 3.527333 0.934457
H 5.293901 3.718029 -0.270144
H -6.254367 -1.943571 0.427338
H -7.219860 -1.251199 -0.908133
H -5.638376 -2.011383 -1.247788
H 4.251699 -4.018437 -0.429139
H 2.971177 -4.301537 0.828176
H 4.242713 -3.062323 1.116574


