%chk=000005536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005536

0 1
 O   0.1636000       2.801200     -0.3683000    
 O   -2.296900      -2.122300     -0.7106000    
 O   -3.804000      0.1748000     -0.2886000    
 O    2.318000       1.512700      -1.274400    
 O    6.065500      -1.130500       1.013100    
 O    4.428500      -2.622800      0.5021000    
 C   0.3231000      0.4262000     -0.6658000    
 C  -0.4332000       1.578900     -0.4542000    
 C   -1.693100     -0.9042000     -0.6250000    
 C    2.642300     -0.6897000     -0.3523000    
 C  -0.3068000     -0.8154000     -0.7511000    
 C    1.807700      0.4987000     -0.8036000    
 C   -2.449500      0.2486000     -0.4133000    
 C   -1.819500       1.490100     -0.3279000    
 C    4.032000     -0.2727000      0.1150000    
 C  -1.3200000E-02   3.524100      0.8480000    
 C   -1.910900      -3.105800      0.2474000    
 C   -4.368400      0.6403000      0.9357000    
 C    4.836900      -1.469800      0.5494000    
 C    1.208400       4.383800       1.092700    
 C   -3.087200      -4.019500      0.5176000    
 C   -5.643500     -0.1268000       1.214000    
 H    2.132900      -1.198900      0.4744000    
 H    2.715700      -1.388600      -1.193900    
 H   0.2652000      -1.719500     -0.9413000    
 H   -2.410900       2.390200     -0.1802000    
 H    4.572600      0.2258000     -0.6971000    
 H    3.949800      0.4202000      0.9597000    
 H  -0.9024000       4.157400      0.7588000    
 H  -0.1489000       2.841700       1.696500    
 H   -1.073800      -3.685500     -0.1564000    
 H   -1.595300      -2.637300       1.188100    
 H   -4.590000       1.708900      0.8420000    
 H   -3.671100      0.4951000       1.770300    
 H    2.107200       3.762700       1.168700    
 H    1.368300       5.073700      0.2575000    
 H    1.100900       4.963400       2.013800    
 H   -3.936300      -3.448700      0.9080000    
 H   -3.424200      -4.498500     -0.4076000    
 H   -2.821600      -4.795800       1.240500    
 H   -6.110400      0.2141000       2.142300    
 H   -5.437700      -1.199200       1.295000    
 H   -6.356600     -7.9999998E-04  0.3927000    
 H    6.578900      -1.916200       1.298400    


%chk=000005536-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005536

0 1
O 0.336680 2.740310 0.449261
O -2.308864 -2.244247 0.257919
O -3.742443 -0.037266 0.596652
O 2.613346 1.431961 -0.212471
O 6.354234 -1.913315 0.120271
O 4.587984 -2.904784 -1.008094
C 0.481745 0.335512 0.203510
C -0.315910 1.511150 0.387093
C -1.590449 -1.041993 0.297961
C 2.722718 -0.972842 0.128460
C -0.198908 -0.921397 0.173514
C 1.961632 0.370927 0.030355
C -2.368370 0.147246 0.478209
C -1.725789 1.401893 0.524504
C 4.242674 -0.758841 0.184438
C -0.464103 3.963367 0.666909
C -1.533967 -3.485458 0.064168
C -4.595012 1.157937 0.775131
C 5.015409 -1.963184 -0.300201
C 0.526836 5.123743 0.691246
C -2.538650 -4.633777 0.053132
C -6.033779 0.657904 0.862581
H 2.375798 -1.545795 1.008180
H 2.484999 -1.592487 -0.760241
H 0.393966 -1.825565 0.025986
H -2.324465 2.302604 0.668427
H 4.501937 0.112073 -0.452333
H 4.589090 -0.487411 1.196337
H -1.197130 4.077385 -0.158833
H -1.016037 3.881940 1.626921
H -0.976375 -3.428082 -0.894099
H -0.802180 -3.597877 0.891739
H -4.455403 1.840060 -0.088688
H -4.293912 1.687972 1.702274
H 1.255516 4.994406 1.508917
H 1.084409 5.173352 -0.258743
H -0.009272 6.078877 0.840586
H -3.092180 -4.675597 1.006491
H -3.267384 -4.504193 -0.764924
H -2.013247 -5.595162 -0.092171
H -6.723652 1.511289 0.994416
H -6.155599 -0.028472 1.717290
H -6.313556 0.118106 -0.057640
H 6.839763 -2.698169 -0.254340


