%chk=000006753.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006753

0 1
 O   -2.001000      -1.355900     -0.1973000    
 O    1.601000      -3.194400     -0.1168000    
 O  -0.5931000      -3.315800     -0.2101000    
 O    2.505000       2.974400      0.1398000    
 O    3.753500       1.163600      0.1275000    
 N   0.4702000      -2.658500     -0.1438000    
 N    2.635600       1.729000      0.1010000    
 C   -2.269800       1.464800     -0.1073000    
 C  -0.8955000      0.7534000     -7.8100003E-02
 C   -2.129600       2.848500     -0.7785000    
 C   -2.797900       1.644800       1.332600    
 C   -3.345800      0.6836000     -0.8931000    
 C  -0.8582000     -0.6132000     -0.1249000    
 C   0.2185000       1.546300     -4.4000000E-03
 C   0.3893000      -1.236600     -9.6299998E-02
 C    1.551400     -0.4686000     -2.1400001E-02
 C    1.465900      0.9229000      2.4700001E-02
 C    2.893000      -1.136300      8.9999996E-03
 C   -2.592600      -1.752100       1.037200    
 H   -3.115300       3.298100     -0.9540000    
 H   -1.600600       3.578000     -0.1558000    
 H   -1.631100       2.782700      -1.752900    
 H   -2.123800       2.283600       1.916200    
 H   -3.782600       2.126400       1.331600    
 H   -2.887100      0.7065000       1.881400    
 H   -4.137200       1.373200      -1.220000    
 H   -2.952400      0.2428000      -1.816800    
 H   -3.903800     -5.7399999E-02 -0.3268000    
 H   0.1632000       2.623800      6.8300001E-02
 H    2.882100      -1.873600      0.8228000    
 H    3.109300      -1.592600     -0.9643000    
 H    3.830000     -0.7001000      0.3255000    
 H   -3.576400      -1.303000       1.181800    
 H   -1.958900      -1.518300       1.900600    
 H   -2.750800      -2.835000       1.016200    


%chk=000006753-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006753

0 1
O -2.174243 -1.123000 0.446208
O -0.312164 -3.319390 -0.564113
O 1.014922 -3.209614 1.288485
O 2.539152 2.873761 -0.826660
O 3.785410 1.324948 0.284545
N 0.336723 -2.658573 0.338376
N 2.671420 1.731851 -0.231113
C -2.339436 1.670200 -0.196618
C -1.005043 0.892420 -0.078711
C -2.097164 3.159504 -0.564539
C -3.104154 1.640603 1.162951
C -3.217437 1.043498 -1.323416
C -0.952632 -0.515773 0.211223
C 0.228530 1.542195 -0.234153
C 0.313712 -1.180817 0.245012
C 1.568845 -0.523652 0.106032
C 1.470393 0.874786 -0.110460
C 2.877208 -1.290507 0.093209
C -2.347512 -2.345057 1.261372
H -3.075181 3.662964 -0.664434
H -1.527435 3.697263 0.215884
H -1.567253 3.270470 -1.528566
H -2.496151 2.094500 1.967287
H -4.037687 2.225963 1.070367
H -3.369274 0.613501 1.457432
H -4.162511 1.610889 -1.410390
H -2.698572 1.093869 -2.298375
H -3.461433 -0.008739 -1.111284
H 0.266543 2.611840 -0.441699
H 2.732022 -2.347158 -0.176718
H 3.592641 -0.834496 -0.606894
H 3.351655 -1.261416 1.089382
H -3.360719 -2.251542 1.679559
H -1.605152 -2.387996 2.077999
H -2.273526 -3.242292 0.626419


