%chk=000002403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002403

0 1
 O   0.1021000       4.123000      -1.012300    
 O   -3.842100       1.877900      -1.610400    
 N    2.827000      0.4443000     -0.4267000    
 N   -2.197700      -2.398100      -1.230000    
 N   -2.045500       3.337000      -1.417500    
 N    5.209900      -3.655600      -1.732800    
 C   0.7817000       1.309200     -0.3316000    
 C  -0.4920000       1.803100     -0.7541000    
 C    1.292400       1.218300      0.9956000    
 C    2.575200      0.6733000      0.9072000    
 C   -1.654300       1.145100     -0.9188000    
 C    1.750800      0.8248000      -1.182600    
 C   -1.944500     -0.2452000     -0.7529000    
 C    4.046800     -0.1149000     -0.9686000    
 C   -2.377800     -0.9141000      0.4260000    
 C   -2.529200      -2.263400      9.9399999E-02
 C    3.987800      -1.639100      -1.065000    
 C  -0.7308000       3.234300      -1.071200    
 C   -1.843000      -1.183900      -1.753600    
 C   -2.676800       2.130200      -1.354700    
 C   0.7824000       1.549600       2.266600    
 C    3.376600      0.4420000       2.030800    
 C   -2.656600     -0.4999000       1.743600    
 C    5.290400      -2.203500      -1.627900    
 C    1.572700       1.323600       3.399500    
 C    2.849600      0.7783000       3.281100    
 C   -2.947000      -3.223100       1.028400    
 C   -2.214800      -3.635600      -1.979900    
 C   -3.075500      -1.448700       2.683400    
 C   -3.217800      -2.788900       2.329100    
 H    1.761900      0.7183000      -2.259900    
 H    4.198000      0.3263000      -1.961300    
 H    4.885300      0.2129000     -0.3446000    
 H    3.794800      -2.067500     -7.2899997E-02
 H    3.144300      -1.934200      -1.702800    
 H   -1.548000      -1.087600      -2.790700    
 H  -0.2104000       1.976500       2.376600    
 H    4.370100      1.4400000E-02   1.950600    
 H   -2.497600       4.203200      -1.687300    
 H   -2.552200      0.5410000       2.036200    
 H    6.128900      -1.937800     -0.9754000    
 H    5.490300      -1.779800      -2.618200    
 H    1.184300       1.576900       4.382300    
 H    3.445700      0.6102000       4.174400    
 H   -3.059800      -4.267900      0.7590000    
 H   -3.232800      -4.033100      -1.966100    
 H   -1.905900      -3.445100      -3.010900    
 H   -1.518700      -4.333900      -1.508300    
 H   -3.292100      -1.134800       3.701100    
 H   -3.544500      -3.508800       3.075100    
 H    6.065200      -4.011600      -2.157500    
 H    4.450200      -3.913100      -2.361500    


%chk=000002403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002403

0 1
O -0.665010 4.356490 0.445597
O -4.089472 1.980730 -1.679869
N 2.487777 0.298530 -0.193155
N -2.893660 -2.076347 -2.104340
N -2.555745 3.448892 -0.633324
N 4.325828 -4.375560 0.515199
C 0.546062 1.507215 0.060209
C -0.814963 1.937387 -0.218599
C 1.528222 1.995243 1.035644
C 2.720226 1.206664 0.859060
C -1.870777 1.222885 -0.801633
C 1.191462 0.474030 -0.650573
C -2.054944 -0.192331 -1.082887
C 3.419006 -0.748712 -0.643164
C -1.560413 -1.368960 -0.367222
C -2.097615 -2.526497 -1.034896
C 3.378886 -2.014774 0.246877
C -1.265228 3.372548 -0.058147
C -2.876620 -0.686218 -2.116836
C -2.982355 2.193532 -1.115419
C 1.524708 2.988884 2.050305
C 3.879716 1.378114 1.645743
C -0.778092 -1.565917 0.800721
C 4.334940 -3.127117 -0.268249
C 2.676192 3.163007 2.843560
C 3.843619 2.370894 2.645128
C -1.850407 -3.845356 -0.600138
C -3.640550 -2.939677 -3.021424
C -0.529429 -2.881855 1.245324
C -1.050834 -4.010565 0.550827
H 0.801253 -0.127832 -1.468371
H 3.155793 -1.014338 -1.683907
H 4.441401 -0.325700 -0.664793
H 3.651521 -1.747403 1.286871
H 2.342760 -2.404888 0.275298
H -3.454398 -0.117407 -2.841273
H 0.651639 3.629705 2.186687
H 4.776068 0.767560 1.492567
H -3.109652 4.303592 -0.679323
H -0.384539 -0.711043 1.357108
H 5.374405 -2.744378 -0.290860
H 4.073942 -3.378980 -1.315228
H 2.678592 3.931845 3.623989
H 4.724347 2.536539 3.275606
H -2.272407 -4.711847 -1.120516
H -4.376649 -3.553846 -2.471044
H -4.181786 -2.315235 -3.748890
H -2.959371 -3.613060 -3.573121
H 0.065378 -3.038681 2.152250
H -0.844500 -5.019591 0.924859
H 4.691310 -4.280456 1.467578
H 3.431366 -4.875218 0.498194


