%chk=000005652.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005652

0 1
 O   -4.510700      -1.218900       1.530700    
 O    5.141400      -2.537900      -1.230800    
 O   -3.358000       1.771100      -1.389600    
 N   -4.829700      0.4378000     -0.1668000    
 C   -7.120800      8.2000002E-02 -0.4803000    
 C   -6.011700       1.080300     -0.7117000    
 C   -6.726300     -0.5721000      0.8300000    
 C   -5.215200     -0.5407000      0.7974000    
 C    5.946100     -0.3750000     -0.5627000    
 C    5.855200      0.8474000      0.3569000    
 C    4.859500      -1.441700     -0.3546000    
 C    6.984800       1.869700      0.2129000    
 C   -3.561600      0.9130000     -0.5309000    
 C    3.477700     -0.9330000     -0.6730000    
 C    6.894400       3.019800       1.203400    
 C    2.381300     -0.9177000      0.1146000    
 C   -2.410700      0.3468000      0.1965000    
 C    1.133200     -0.3824000     -0.4375000    
 C   -1.234700      0.2542000     -0.4353000    
 C    2.354600      -1.414600       1.536300    
 C  -4.8799999E-02 -0.2881000      0.1943000    
 H   -8.111000      0.5444000     -0.4466000    
 H   -7.122200     -0.6680000      -1.281000    
 H   -5.879100       1.326800      -1.769700    
 H   -6.177700       2.008700     -0.1531000    
 H   -7.070800      9.9999998E-03   1.690600    
 H   -7.094800      -1.598300      0.9003000    
 H    6.926300     -0.8511000     -0.4260000    
 H    5.938900     -3.8699999E-02  -1.608600    
 H    5.832600      0.4960000       1.396500    
 H    4.901300       1.360500      0.1834000    
 H    4.941700      -1.831300      0.6614000    
 H    7.948400       1.364100      0.3480000    
 H    6.978400       2.273200     -0.8065000    
 H    3.383700     -0.5482000      -1.689900    
 H    6.939900       2.652500       2.233500    
 H    5.957200       3.570800       1.076400    
 H    7.723900       3.717600       1.053000    
 H   -2.521700      4.1400000E-02   1.228600    
 H    5.146400      -2.202800      -2.143900    
 H    1.189400     -3.1099999E-02  -1.468000    
 H   -1.134400      0.5734000      -1.470000    
 H    1.639900      -2.238300       1.641900    
 H    3.317100      -1.788700       1.889400    
 H    2.065400     -0.6081000       2.219500    
 H  -0.1597000     -0.6235000       1.221700    


%chk=000005652-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005652

0 1
O -4.836637 -1.510716 1.331970
O 5.056768 -2.494974 -0.401185
O -3.537496 1.688691 -1.298889
N -5.051618 0.338895 -0.177457
C -7.426253 0.318830 -0.470610
C -6.161052 1.176989 -0.719598
C -7.056382 -0.539547 0.760738
C -5.529105 -0.671135 0.700490
C 6.092963 -0.227102 -0.316173
C 6.191873 1.122213 0.434155
C 4.914936 -1.108614 0.144606
C 7.381902 1.985267 -0.043866
C -3.708024 0.684485 -0.535264
C 3.563807 -0.516643 -0.208080
C 7.482894 3.332949 0.702716
C 2.340585 -0.972023 0.237055
C -2.611437 -0.143756 -0.002450
C 1.133600 -0.279277 -0.214004
C -1.307400 0.149440 -0.334862
C 2.203346 -2.158743 1.174907
C -0.163055 -0.595814 0.139709
H -8.319331 0.944081 -0.310279
H -7.617019 -0.332053 -1.342011
H -5.970525 1.401465 -1.780034
H -6.191000 2.140461 -0.176591
H -7.318043 -0.035851 1.711674
H -7.518808 -1.539046 0.780357
H 7.024546 -0.804851 -0.163503
H 6.005964 -0.039153 -1.408291
H 6.294178 0.928815 1.522402
H 5.252363 1.698460 0.310166
H 4.996172 -1.281401 1.234383
H 8.322704 1.413713 0.089862
H 7.283237 2.170837 -1.133124
H 3.576593 0.342870 -0.897301
H 7.610429 3.175485 1.790344
H 6.567065 3.936462 0.557167
H 8.341389 3.930469 0.345054
H -2.868445 -0.977957 0.657278
H 4.846522 -2.464310 -1.370450
H 1.287493 0.576323 -0.890110
H -1.130361 1.005855 -1.002725
H 1.547963 -2.931756 0.731753
H 3.174846 -2.631751 1.377006
H 1.742764 -1.851707 2.133113
H -0.355808 -1.443575 0.810653


