%chk=000006445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006445

0 1
 O   -1.646100     -0.9162000       1.316900    
 O    2.635400      -1.545000     -0.1053000    
 O   -1.820500      -2.944100     -0.4927000    
 O   -3.963900      0.7782000      0.7831000    
 N    3.286100       1.126300      0.4608000    
 C   0.6262000     -0.4416000      0.6559000    
 C    1.636500     -0.5876000     -0.4740000    
 C    2.196100      0.9003000     -0.5002000    
 C  -0.4020000      -1.555600      0.8858000    
 C    1.425600     -8.0000004E-03   1.963800    
 C  -0.3805000      0.6030000      0.1734000    
 C    1.004800      -1.173200      -1.752400    
 C    1.268700       1.830000      -1.343600    
 C    2.970000      0.3936000       1.736400    
 C  -0.1526000       1.654900     -0.7476000    
 C   0.3311000      -2.513800      -1.440300    
 C  -0.7373000      -2.367400     -0.3748000    
 C   -1.635600      0.2818000      0.6407000    
 C    4.613200      0.8711000     -6.1700001E-02
 C   -1.244300       2.448000      -1.086100    
 C   -2.720500       1.070200      0.3264000    
 C   -2.513100       2.164300     -0.5337000    
 C   -4.777300     -6.9100000E-02 -3.0600000E-02
 H    2.857600      0.7545000      -1.374000    
 H  -7.9700001E-02  -2.264900       1.655700    
 H    1.416600     -0.8263000       2.693600    
 H   0.9231000      0.8482000       2.431200    
 H    1.781800      -1.343100      -2.508100    
 H   0.2633000     -0.5150000      -2.213000    
 H    1.254200       1.577500      -2.409900    
 H    1.583000       2.872400      -1.224800    
 H    3.283200       1.023200       2.577700    
 H    3.568900     -0.5229000       1.810500    
 H    1.053300      -3.263100      -1.100300    
 H  -0.1393000      -2.898200      -2.352400    
 H    3.261300      -1.623900     -0.8448000    
 H    4.834500       1.523900     -0.9143000    
 H    4.776600     -0.1662000     -0.3670000    
 H    5.363600       1.108900      0.7012000    
 H   -1.133100       3.277500      -1.778200    
 H   -3.355500       2.795100     -0.8111000    
 H   -4.962200      0.3974000      -1.003500    
 H   -5.734900     -0.2137000      0.4768000    
 H   -4.300200      -1.045000     -0.1652000    


%chk=000006445-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006445

0 1
O -1.756641 -0.900287 1.013182
O 2.578240 -1.906145 -0.117895
O -2.111045 -2.693920 -1.088745
O -3.948628 1.289413 0.445838
N 2.851151 1.045491 0.475012
C 0.565700 -0.631060 0.398122
C 1.657219 -0.875566 -0.663436
C 2.404907 0.493315 -0.832956
C -0.568292 -1.693823 0.541307
C 1.214596 -0.315463 1.791275
C -0.285931 0.539470 -0.097701
C 1.069695 -1.428873 -1.983601
C 1.507552 1.565988 -1.527482
C 2.659835 0.225675 1.689237
C 0.117240 1.608400 -0.906863
C 0.257034 -2.722952 -1.696535
C -0.925678 -2.408715 -0.789668
C -1.607251 0.358671 0.349107
C 4.147439 1.731318 0.415008
C -0.868849 2.596070 -1.174152
C -2.601162 1.323810 0.076602
C -2.182920 2.460269 -0.676006
C -4.505285 0.003681 0.918349
H 3.287131 0.295185 -1.494567
H -0.367046 -2.447236 1.322380
H 1.240213 -1.240112 2.396646
H 0.567454 0.410636 2.313040
H 1.893475 -1.657105 -2.688666
H 0.416140 -0.684339 -2.470545
H 1.425425 1.356420 -2.615408
H 2.014307 2.544647 -1.433663
H 2.862418 0.880816 2.559133
H 3.374635 -0.627005 1.739308
H 0.927946 -3.441891 -1.185246
H -0.122432 -3.182846 -2.624324
H 3.373315 -1.952950 -0.709072
H 4.165160 2.448202 -0.426666
H 5.016782 1.035673 0.288277
H 4.309348 2.306129 1.345165
H -0.622458 3.465860 -1.794202
H -2.945957 3.213012 -0.899008
H -4.332731 -0.796888 0.178154
H -5.581700 0.196960 1.040352
H -4.054251 -0.291535 1.881212


