%chk=000023196.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023196

0 1
 O  -0.6009000       1.161700     -0.4408000    
 O   -2.354600      -1.941100     -7.0299998E-02
 C   0.3983000      0.3977000      0.2682000    
 C  -0.1504000      -1.024500      0.3805000    
 C   -1.645400     -0.7993000      0.3648000    
 C   -1.765300      0.3413000     -0.6306000    
 C    1.700800      0.4444000     -0.5249000    
 C   0.5889000       1.048100       1.640400    
 C    2.769800     -0.4370000      0.1129000    
 C   -3.016900       1.178200     -0.4377000    
 C    4.075800     -0.3695000     -0.6624000    
 H   0.1832000      -1.562300       1.274100    
 H   0.1297000      -1.639300     -0.4851000    
 H   -1.997000     -0.5150000       1.363400    
 H   -1.745400     -3.4800000E-02  -1.661200    
 H    2.054900       1.480500     -0.6049000    
 H    1.516800      0.1215000      -1.558300    
 H    1.220100      0.4543000       2.307400    
 H    1.027200       2.047900       1.541500    
 H  -0.3760000       1.192900       2.140100    
 H    2.448200      -1.483200      0.1494000    
 H    2.977500     -0.1238000       1.140700    
 H   -3.032600       2.008100      -1.152300    
 H   -3.923000      0.5812000     -0.5754000    
 H   -3.038500       1.627000      0.5615000    
 H   -3.295800      -1.702500     -0.1182000    
 H    3.938400     -0.7119000      -1.693000    
 H    4.464500      0.6536000     -0.6887000    
 H    4.830700      -1.006800     -0.1911000    


%chk=000023196-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023196

0 1
O -0.655781 1.282939 -0.049538
O -2.283908 -2.023631 -0.222612
C 0.412592 0.401258 0.571813
C -0.238921 -1.015393 0.662111
C -1.731300 -0.792335 0.354211
C -1.698772 0.408885 -0.624364
C 1.637046 0.442730 -0.374835
C 0.703462 1.022024 1.948102
C 2.853417 -0.398417 0.078411
C -2.990284 1.215074 -0.744513
C 3.988639 -0.388959 -0.968868
H -0.081223 -1.488938 1.644930
H 0.162571 -1.692310 -0.114287
H -2.289292 -0.496744 1.269480
H -1.380046 0.027736 -1.621293
H 1.944653 1.500443 -0.493735
H 1.307103 0.095208 -1.375274
H 1.507895 0.476569 2.473588
H 1.012397 2.075804 1.830022
H -0.201841 1.000419 2.580350
H 2.538911 -1.445110 0.265547
H 3.242578 -0.010158 1.040012
H -2.844324 2.085578 -1.406736
H -3.801310 0.595441 -1.173424
H -3.307239 1.585895 0.246866
H -3.264219 -1.923055 -0.321977
H 3.645595 -0.817556 -1.929330
H 4.335600 0.642544 -1.168029
H 4.859000 -0.978540 -0.626628


