%chk=000004860.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004860

0 1
 O   0.8555000      0.3830000       1.745200    
 O   -6.898400      -1.360500      -1.587400    
 C    1.011200       3.088400     -0.1677000    
 C    2.488200       2.725700      4.6500001E-02
 C   8.0000004E-03   2.010800      0.1962000    
 C   -1.965400      0.4731000     -0.3691000    
 C    3.915100      0.6972000     -0.6168000    
 C    4.381200     -0.3531000      -1.603400    
 C    2.970400       1.627200     -0.8612000    
 C  -0.9348000       1.534300     -0.6420000    
 C   -3.272100       1.096300      0.1416000    
 C    4.279600      -1.794200      -1.085300    
 C   3.3599999E-02   1.534900       1.629800    
 C   -4.362800      6.5600000E-02  0.3628000    
 C    4.629200      0.6851000      0.7109000    
 C    2.859000      -2.235800     -0.8671000    
 C   -4.049500      -1.000400       1.376700    
 C   -5.504900      0.1305000     -0.3487000    
 C    2.286600      -2.665600      0.2734000    
 C   -6.676100     -0.7999000     -0.2999000    
 C   0.8549000      -3.093600      0.4220000    
 C    3.091500      -2.748800       1.543600    
 H   0.7840000       3.976100      0.4372000    
 H   0.8657000       3.395800      -1.211900    
 H    3.086200       3.620400     -0.1670000    
 H    2.648700       2.478700       1.100600    
 H   -1.574300     -0.2618000      0.3434000    
 H   -2.148500     -7.9200000E-02  -1.299500    
 H    3.817100     -0.2638000      -2.541000    
 H    5.427800     -0.1448000      -1.860100    
 H    2.518700       1.618700      -1.852700    
 H  -0.9620000       1.939900      -1.652500    
 H   -3.099700       1.624800       1.087700    
 H   -3.606100       1.862500     -0.5709000    
 H    4.926800      -1.916600     -0.2164000    
 H    4.704800      -2.455500      -1.851900    
 H   0.4296000       2.317300       2.286900    
 H  -0.9626000       1.287900       2.007900    
 H    5.674700      0.3838000      0.5804000    
 H    4.662900       1.668800       1.188100    
 H    4.152200     -1.7200001E-02   1.399200    
 H    2.232100      -2.202300      -1.757600    
 H   -3.368300      -1.745000      0.9532000    
 H   -3.571700     -0.5557000       2.256700    
 H   -4.937400      -1.521700       1.741300    
 H   -5.618100      0.9475000      -1.060500    
 H   0.8559000      0.1233000       2.682200    
 H   -7.570700     -0.2394000     -9.9999998E-03
 H   -6.547300      -1.624300      0.4035000    
 H   0.7986000      -4.142500      0.7301000    
 H   0.3474000      -2.479800       1.172900    
 H   0.3049000      -2.990600     -0.5193000    
 H    2.735400      -1.997300       2.256500    
 H    4.167600      -2.621900       1.437100    
 H    2.950100      -3.735000       2.001400    
 H   -7.686500      -1.926300      -1.520600    


%chk=000004860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004860

0 1
O 1.137850 0.791316 2.339357
O -5.975122 -2.625639 -1.097572
C 1.177760 3.075297 -0.190218
C 2.694373 2.768230 0.015339
C 0.220677 2.101557 0.483290
C -1.740489 0.436312 0.320600
C 4.060240 0.631322 -0.440088
C 4.582679 -0.401642 -1.432001
C 3.220486 1.629390 -0.836957
C -0.709422 1.399840 -0.225834
C -3.193475 0.998835 0.184730
C 4.221584 -1.888921 -1.093001
C 0.317481 1.988970 1.992437
C -4.272538 -0.000840 0.590949
C 4.556963 0.484506 0.994141
C 2.798096 -2.261879 -1.450281
C -4.313259 -0.353496 2.067860
C -5.115550 -0.510021 -0.353162
C 1.753898 -2.508154 -0.607233
C -6.233440 -1.499212 -0.165907
C 0.383906 -2.870960 -1.158176
C 1.829185 -2.422499 0.907602
H 0.986608 4.094555 0.211010
H 0.959953 3.117952 -1.275272
H 3.252368 3.696055 -0.240351
H 2.883486 2.568982 1.084997
H -1.518167 0.179870 1.370976
H -1.691354 -0.511744 -0.250835
H 4.215890 -0.168572 -2.450477
H 5.691832 -0.328376 -1.464552
H 2.906845 1.649953 -1.893372
H -0.735354 1.543616 -1.317808
H -3.266848 1.914544 0.808063
H -3.352590 1.312587 -0.864710
H 4.428580 -2.079084 -0.023985
H 4.914766 -2.538540 -1.666977
H 0.795691 2.901599 2.406926
H -0.689098 1.885585 2.447922
H 5.495642 -0.098578 1.031155
H 4.750396 1.460933 1.471524
H 3.805123 -0.039006 1.615691
H 2.598883 -2.322732 -2.532866
H -3.343337 -0.772342 2.397831
H -4.493780 0.553482 2.678561
H -5.095780 -1.088128 2.317219
H -4.991677 -0.185249 -1.396571
H 1.257919 0.769036 3.325386
H -7.203877 -1.017655 -0.422914
H -6.293300 -1.864763 0.878486
H 0.066913 -3.875267 -0.811806
H -0.387155 -2.159338 -0.802214
H 0.369461 -2.868513 -2.262325
H 1.365950 -1.479692 1.262894
H 2.866229 -2.442914 1.283958
H 1.278539 -3.262461 1.374797
H -6.792641 -3.183104 -1.161731


