%chk=000005880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005880

0 1
 O   -4.362200     -0.2138000       2.412300    
 O    4.589200      -1.207100       1.122300    
 C  -0.3945000     -0.4228000     -0.2499000    
 C   -1.761800     -0.3324000      -1.026300    
 C   0.5003000      0.8379000     -0.4938000    
 C    1.783600      0.6809000      0.3274000    
 C   -2.486800       1.004200     -0.6489000    
 C    2.587800     -0.5629000     -0.1020000    
 C   0.3881000      -1.746100     -0.4811000    
 C  -0.2457000       2.128300     -0.1350000    
 C    1.753300      -1.794700      0.2308000    
 C   -1.587600       2.235100     -0.8535000    
 C   -2.711200      -1.521900     -0.6976000    
 C    2.815700       1.803300      0.3497000    
 C   -3.051200      0.9919000      0.7876000    
 C   -1.535000     -0.3762000      -2.559900    
 C    3.823300     -0.3288000      0.7484000    
 C   -3.233100      -1.521400      0.7336000    
 C    4.013700       1.147700       1.052700    
 C   -3.947800     -0.2140000       1.050100    
 C    3.061900     -0.5871000      -1.567000    
 H  -0.6300000     -0.4216000      0.8235000    
 H   0.7670000      0.9018000      -1.553900    
 H    1.470500      0.5508000       1.378100    
 H   -3.350700       1.124400      -1.318800    
 H   0.5434000      -1.912400      -1.551600    
 H  -0.2002000      -2.595600     -0.1178000    
 H   0.3640000       2.998300     -0.4068000    
 H  -0.3976000       2.187000      0.9492000    
 H    1.593600      -1.863500       1.314900    
 H    2.284300      -2.711600     -5.2800000E-02
 H   -2.107600       3.139000     -0.5130000    
 H   -1.406900       2.381700      -1.925200    
 H   -2.228200      -2.481900     -0.9092000    
 H   -3.580500      -1.480700      -1.369300    
 H    2.470200       2.682600      0.9022000    
 H    3.081900       2.128500     -0.6618000    
 H   -2.248000       1.012000       1.533500    
 H   -3.628100       1.908300      0.9687000    
 H   -1.145600      -1.347800      -2.881100    
 H   -2.478400     -0.2205000      -3.096900    
 H  -0.8397000      0.3894000      -2.911800    
 H   -3.927300      -2.358800      0.8763000    
 H   -2.418500      -1.696900       1.446200    
 H    3.963100       1.294500       2.135400    
 H    4.962900       1.511700      0.6537000    
 H   -4.853700     -0.1340000      0.4380000    
 H    3.649900      -1.492900      -1.759200    
 H    2.235000     -0.5793000      -2.281800    
 H    3.713300      0.2594000      -1.809600    
 H   -3.567500     -0.2897000       2.967600    


%chk=000005880-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005880

0 1
O -4.504989 -0.228787 2.452229
O 4.625591 -1.282052 1.220097
C -0.394223 -0.410613 -0.267252
C -1.765371 -0.324851 -1.043717
C 0.499258 0.857747 -0.511756
C 1.792489 0.703268 0.312634
C -2.509387 1.005962 -0.647656
C 2.599297 -0.575721 -0.061105
C 0.386258 -1.735803 -0.516404
C -0.261576 2.153738 -0.145690
C 1.740245 -1.819785 0.242911
C -1.620080 2.257073 -0.875225
C -2.708907 -1.524731 -0.702967
C 2.857498 1.833134 0.332634
C -3.072498 0.981194 0.803297
C -1.546934 -0.356278 -2.583241
C 3.872786 -0.378402 0.784044
C -3.216229 -1.548920 0.756967
C 4.077139 1.139700 1.006082
C -3.966884 -0.242702 1.075516
C 3.102273 -0.595391 -1.540863
H -0.634020 -0.394179 0.819978
H 0.769202 0.911162 -1.587314
H 1.471484 0.561505 1.372611
H -3.388080 1.084933 -1.326297
H 0.567153 -1.868421 -1.600404
H -0.236603 -2.594494 -0.202822
H 0.360034 3.035423 -0.396042
H -0.415706 2.183864 0.953192
H 1.552884 -1.871947 1.334707
H 2.277217 -2.747067 -0.031983
H -2.164364 3.161031 -0.536075
H -1.438825 2.390380 -1.960000
H -2.214515 -2.482474 -0.951570
H -3.592067 -1.456852 -1.373574
H 2.522366 2.722315 0.893415
H 3.102583 2.165275 -0.693931
H -2.245442 0.981554 1.543223
H -3.657413 1.903789 0.982350
H -1.178801 -1.344321 -2.915176
H -2.505179 -0.172129 -3.105624
H -0.828073 0.403908 -2.933599
H -3.891342 -2.410174 0.917299
H -2.367965 -1.666731 1.464106
H 4.097725 1.321978 2.098292
H 5.061709 1.457523 0.618123
H -4.880286 -0.185530 0.454145
H 3.733085 -1.488765 -1.697590
H 2.261547 -0.639570 -2.253425
H 3.707623 0.293803 -1.792716
H -3.741089 -0.281270 3.082769


