%chk=000005687.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005687

0 1
 O   -3.141900       2.463700      3.2900002E-02
 O   -4.993900      0.4132000     -0.2626000    
 O    5.831500       1.748500       1.187100    
 N    1.354900      0.1404000      0.4330000    
 N   -1.504500      -2.818300     -1.2900000E-02
 N   0.7895000      -2.137700      0.2720000    
 C  -0.9706000     -0.4856000      0.1468000    
 C   -1.895800      -1.531800     -1.3000000E-03
 C   0.3636000     -0.8605000      0.2794000    
 C   -1.391100      0.8557000      0.1575000    
 C   -2.741300       1.162800      2.0199999E-02
 C   -3.240600      -1.195900     -0.1366000    
 C   -3.666900      0.1356000     -0.1269000    
 C    2.708100      0.1978000      6.3900001E-02
 C    3.611700      0.9534000      0.8172000    
 C    3.162100     -0.5001000      -1.059600    
 C  -0.1834000      -3.051300      0.1239000    
 C    4.956500       1.010500      0.4509000    
 C    4.506800     -0.4428000      -1.425900    
 C    5.404000      0.3124000     -0.6707000    
 C   -3.193600       3.139200      -1.222600    
 C   -5.765200      0.4909000      0.9344000    
 H  -0.6871000       1.676900      0.2643000    
 H   -3.979700      -1.987100     -0.2538000    
 H    1.091700      0.8563000       1.104700    
 H    3.264500       1.498000       1.692600    
 H    2.481400      -1.084600      -1.672700    
 H   0.1253000      -4.089500      0.1135000    
 H    4.854800     -0.9837000      -2.301100    
 H    6.450100      0.3537000     -0.9617000    
 H   -2.199500       3.175500      -1.679400    
 H   -3.535600       4.162800      -1.047000    
 H   -3.899800       2.645100      -1.897300    
 H   -5.750700     -0.4676000       1.462900    
 H   -6.798100      0.7245000      0.6619000    
 H   -5.387100       1.285200       1.585700    
 H    5.352000       2.163500       1.924500    


%chk=000005687-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005687

0 1
O -3.155168 2.479923 0.369789
O -5.106483 0.352867 -0.077312
O 5.737620 2.325367 0.736925
N 1.459652 0.091444 -0.011474
N -1.506843 -2.789319 -0.842797
N 0.834491 -2.119864 -0.622294
C -0.921446 -0.445250 -0.244765
C -1.887476 -1.483636 -0.521301
C 0.482771 -0.849157 -0.299513
C -1.390434 0.872006 0.035689
C -2.758427 1.158135 0.075636
C -3.279426 -1.182571 -0.447041
C -3.720127 0.102992 -0.129723
C 2.879352 -0.004633 -0.001377
C 3.581594 1.182382 0.355353
C 3.602905 -1.183439 -0.319129
C -0.183152 -3.014088 -0.878195
C 4.991737 1.182997 0.391440
C 5.014822 -1.148791 -0.274507
C 5.725321 0.016275 0.076025
C -3.934535 3.152435 -0.700747
C -5.614319 0.784434 1.249040
H -0.719349 1.722144 0.205995
H -4.001809 -1.982705 -0.627381
H 1.105086 1.012149 0.250103
H 3.025171 2.098703 0.602705
H 3.053682 -2.085689 -0.586341
H 0.141856 -4.026894 -1.137413
H 5.572547 -2.059215 -0.519999
H 6.817540 0.044924 0.111851
H -3.302476 3.283361 -1.599044
H -4.208645 4.134266 -0.286892
H -4.837372 2.570960 -0.957694
H -5.480460 -0.030697 1.984288
H -6.686041 0.981945 1.098641
H -5.094620 1.695386 1.595933
H 5.144560 3.089951 0.942726


