%chk=000126460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126460

0 1
 O    2.150400       1.652800      -1.225600    
 O  -0.6246000      -2.629100     -0.6164000    
 O   -2.759800       2.143900      0.5160000    
 N    3.379100      -1.209200      6.3500002E-02
 N    1.073500     -0.2953000     -0.2844000    
 N   -4.467300      6.5099999E-02  0.3925000    
 C    2.931300     -0.4605000       1.228600    
 C    1.959500      -1.240500      0.3962000    
 C    1.552600       1.093900     -6.2199999E-02
 C    2.564900      0.9980000       1.114000    
 C  -0.3009000     -0.3420000     -0.1580000    
 C   0.2502000       1.839500      0.2164000    
 C    4.150900      -2.402200      0.3021000    
 C  -0.8231000      0.8572000      0.1106000    
 C   -1.119500      -1.549300     -0.3114000    
 C   -2.270700       1.041500      0.2894000    
 C   0.1612000       3.141100      0.5128000    
 C    1.298700       1.534700      -2.356600    
 C   -2.593400      -1.387600     -9.3099996E-02
 C   -3.137500     -0.1836000      0.1848000    
 C   -3.375500      -2.668400     -0.2193000    
 H    3.207100     -0.7995000       2.214900    
 H    1.533800      -2.155100      0.7825000    
 H    2.106800       1.315200       2.058000    
 H    3.455700       1.609600      0.9373000    
 H    3.833500      -2.958500       1.192100    
 H    5.207900      -2.146400      0.4282000    
 H    4.073000      -3.076400     -0.5568000    
 H    1.054500       3.755600      0.5639000    
 H  -0.7825000       3.633300      0.7122000    
 H    1.843800       1.960800      -3.205800    
 H   0.3755000       2.113800      -2.269500    
 H    1.092500      0.4929000      -2.619800    
 H   -3.261700      -3.082900      -1.226900    
 H   -4.446000      -2.547600     -3.8800001E-02
 H   -3.009600      -3.407100      0.5022000    
 H   -5.150900     -0.6778000      0.3452000    
 H   -4.773500       1.009200      0.5942000    


%chk=000126460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126460

0 1
O 2.245431 1.563090 -1.091911
O -0.589466 -2.786482 -0.152689
O -2.945292 2.195860 0.394676
N 3.363598 -1.105062 -0.000213
N 1.007410 -0.342278 -0.083376
N -4.510260 0.062846 0.144839
C 2.939751 -0.477721 1.317200
C 1.951834 -1.286137 0.478196
C 1.503291 1.092443 0.069560
C 2.561525 1.004548 1.215158
C -0.364458 -0.383455 -0.005092
C 0.183604 1.874219 0.285230
C 4.216582 -2.318280 0.099258
C -0.908304 0.901513 0.167241
C -1.178019 -1.644657 -0.070211
C -2.331888 1.078596 0.226857
C 0.115517 3.220079 0.476419
C 1.512519 1.507297 -2.367685
C -2.623302 -1.479899 -0.028172
C -3.168155 -0.196635 0.099081
C -3.501588 -2.709182 -0.115645
H 3.349399 -0.873931 2.254167
H 1.553141 -2.274585 0.715399
H 2.129550 1.348825 2.170322
H 3.421660 1.640105 0.949835
H 3.998478 -2.967738 0.978648
H 5.270424 -1.995265 0.156964
H 4.080602 -2.915715 -0.818351
H 1.025876 3.826754 0.532262
H -0.853373 3.720487 0.563627
H 2.223906 1.878881 -3.120495
H 0.614073 2.153722 -2.345828
H 1.225455 0.466569 -2.607318
H -4.166729 -2.682285 -1.002318
H -4.140729 -2.829205 0.782539
H -2.864568 -3.604191 -0.198891
H -5.210939 -0.670617 0.080213
H -4.776657 1.046587 0.263501


