%chk=000005745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005745

0 1
 O   -2.483700       1.023200      -1.830200    
 O   0.6867000      -2.165400      0.8866000    
 O   -4.509400       1.756700      0.6160000    
 O   -5.463000     -0.7239000     -0.1172000    
 O    6.914300      -1.340200      -1.189000    
 O   -5.167500      -3.013400     -0.2076000    
 C  -7.0699997E-02   1.641500     -0.2990000    
 C   -1.186300      0.7053000      0.2257000    
 C    1.310800       1.317400      0.2875000    
 C    1.694900     -0.1478000     -7.8699999E-02
 C   -2.414700       1.365900     -0.4489000    
 C    3.117900     -0.5639000      0.4500000    
 C  -0.6421000       3.039500     -7.2899997E-02
 C  -0.8494000     -0.7192000     -0.2254000    
 C   -2.157400       2.880900     -0.3066000    
 C    2.376900       2.286600     -0.2384000    
 C   0.5344000      -1.104300      0.2841000    
 C   -1.333200      0.7285000       1.772700    
 C    4.138600      0.5163000      5.4499999E-02
 C    3.750300       1.950500      0.3256000    
 C    3.514000      -1.919500     -0.2073000    
 C   -3.740200      0.9425000      0.1075000    
 C    3.154800     -0.7013000       1.989100    
 C    4.993900      -2.248600     -8.6099997E-02
 C    5.342000      0.2557000     -0.4838000    
 C    5.826200      -1.132300     -0.6561000    
 C   -4.069700     -0.5318000      6.6000000E-03
 C   -5.887800      -2.024500     -0.2171000    
 C   -7.380500      -2.074700     -0.3415000    
 H   1.2100000E-02   1.514100      -1.390900    
 H    1.268700       1.429200       1.376500    
 H    1.742600     -0.1974000      -1.178900    
 H  -0.2112000       3.772200     -0.7632000    
 H  -0.4474000       3.393000      0.9459000    
 H  -0.8350000     -0.8237000      -1.315800    
 H   -1.561000      -1.449900      0.1689000    
 H   -2.684600       3.334000      0.5401000    
 H   -2.453800       3.427900      -1.208900    
 H    2.125400       3.316000      4.1999999E-02
 H    2.409100       2.254500      -1.335300    
 H  -0.4214000      0.4050000       2.283800    
 H   -1.578500       1.724200       2.155100    
 H   -2.124200      5.1399998E-02   2.109400    
 H    3.754700       2.122000       1.409000    
 H    4.482900       2.649100     -9.7400002E-02
 H    3.258500      -1.895500      -1.276100    
 H    2.946100      -2.749500      0.2261000    
 H    4.178900     -0.8433000       2.354500    
 H    2.759900      0.1854000       2.494600    
 H    2.574500      -1.560000       2.339000    
 H   -3.163300       1.578800      -2.249100    
 H    5.205400      -3.163000     -0.6514000    
 H    5.290800      -2.414900      0.9541000    
 H    6.029900       1.047800     -0.7602000    
 H   -3.712800      -1.030600      0.9121000    
 H   -3.590200     -0.9623000     -0.8769000    
 H   -7.694600      -1.542600      -1.242800    
 H   -7.840600      -1.633700      0.5463000    
 H   -7.703500      -3.116600     -0.4209000    


%chk=000005745-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005745

0 1
O -2.174765 1.058619 -2.294711
O 0.586524 -2.247022 0.704065
O -4.533512 1.337207 0.407713
O -5.542864 -0.952884 -0.791566
O 7.047934 -1.348700 -0.774538
O -4.138581 -1.801561 0.858695
C -0.115203 1.663497 -0.356831
C -1.275523 0.667158 -0.038404
C 1.204822 1.308957 0.353267
C 1.643200 -0.141408 -0.066851
C -2.437192 1.363315 -0.862157
C 3.018911 -0.612672 0.545938
C -0.744261 3.058053 -0.118746
C -0.868089 -0.746469 -0.524477
C -2.238909 2.878088 -0.548829
C 2.320842 2.313940 -0.008843
C 0.474487 -1.145531 0.102581
C -1.643634 0.604779 1.466824
C 4.069081 0.488550 0.298987
C 3.672369 1.915883 0.626619
C 3.459337 -1.929506 -0.172061
C -3.843485 0.846798 -0.519198
C 2.914095 -0.841179 2.089709
C 4.940620 -2.294172 0.053485
C 5.339559 0.212867 -0.139577
C 5.870139 -1.151457 -0.342591
C -4.358940 -0.313957 -1.389613
C -5.293342 -1.660548 0.395865
C -6.577403 -2.180356 0.990701
H 0.069857 1.569977 -1.449194
H 1.055971 1.339643 1.452012
H 1.794396 -0.079958 -1.171725
H -0.238298 3.846196 -0.702318
H -0.678032 3.344833 0.947192
H -0.764235 -0.728594 -1.627577
H -1.609523 -1.512865 -0.238385
H -2.936767 3.171721 0.253512
H -2.494262 3.492671 -1.434375
H 2.038032 3.328249 0.331823
H 2.427818 2.357468 -1.112554
H -0.779871 0.262279 2.063565
H -1.971998 1.579028 1.866598
H -2.457656 -0.121127 1.632174
H 3.580875 2.016686 1.729350
H 4.470744 2.611982 0.311885
H 3.294515 -1.806784 -1.262814
H 2.810905 -2.754823 0.163464
H 3.902303 -1.102123 2.508441
H 2.561994 0.062509 2.618998
H 2.212179 -1.663399 2.299928
H -2.492335 1.819438 -2.843405
H 5.224135 -3.197712 -0.514671
H 5.125396 -2.525348 1.122775
H 6.053562 1.028363 -0.316738
H -3.553449 -1.048142 -1.560971
H -4.706670 0.059649 -2.366394
H -7.290495 -2.465905 0.201704
H -7.042387 -1.377853 1.592024
H -6.365420 -3.035048 1.649919


