%chk=000082635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082635

0 1
 O    3.538100     -6.4999998E-02  0.3768000    
 O    3.714900      -1.316000      -1.556400    
 C  -0.6947000      -1.553300      0.8097000    
 C   -1.796600      -1.342500     -0.2315000    
 C   0.6488000      -1.856400      0.1442000    
 C   -3.145900      -1.071400      0.4377000    
 C    1.742300      -2.100200       1.184400    
 C   -4.293000     -0.8832000     -0.5591000    
 C    3.087900      -2.369300      0.5218000    
 C   -5.645800     -0.6369000      0.1100000    
 C    1.673500       2.161500      0.2513000    
 C    2.617000       1.763200     -0.8826000    
 C   0.3641000       2.787000     -0.2375000    
 C    3.888900       1.116800     -0.3500000    
 C  -0.5695000       3.208200      0.8981000    
 C    3.489400      -1.213100     -0.3575000    
 C   -6.736000     -0.3851000     -0.9206000    
 C   -1.883400       3.755600      0.3612000    
 H  -0.6024000     -0.6559000       1.433700    
 H  -0.9701000      -2.382300       1.472800    
 H   -1.877300      -2.231700     -0.8682000    
 H   -1.534300     -0.4997000     -0.8825000    
 H   0.5506000      -2.741400     -0.4963000    
 H   0.9089000      -1.015500     -0.5077000    
 H   -3.064700     -0.1744000       1.064300    
 H   -3.390700      -1.904700       1.107900    
 H    1.474000      -2.963000       1.805700    
 H    1.812800      -1.236800       1.856900    
 H   -4.054600     -3.8199998E-02  -1.217100    
 H   -4.363700      -1.771600      -1.198800    
 H    3.870800      -2.529300       1.270500    
 H    3.034200      -3.273200     -9.5500000E-02
 H   -5.576800      0.2289000      0.7786000    
 H   -5.918400      -1.502000      0.7252000    
 H    2.184400       2.873200      0.9118000    
 H    1.430000       1.284600      0.8627000    
 H    2.096700       1.067300      -1.551000    
 H    2.880600       2.649300      -1.471100    
 H  -0.1533000       2.065500     -0.8824000    
 H   0.5924000       3.661000     -0.8601000    
 H    4.399700       1.790600      0.3463000    
 H    4.594100      0.8998000      -1.160500    
 H  -0.7771000       2.348100       1.545300    
 H  -8.1900001E-02   3.970600       1.516100    
 H   -6.506300      0.4964000      -1.527700    
 H   -7.695400     -0.2137000     -0.4225000    
 H   -6.849000      -1.244000      -1.589700    
 H   -1.713800       4.631900     -0.2724000    
 H   -2.410600       2.999700     -0.2300000    
 H   -2.535100       4.054600       1.188100    


%chk=000082635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082635

0 1
O 3.631684 -0.054255 0.586352
O 4.073285 -1.010254 -1.495610
C -0.642282 -1.734536 0.822878
C -1.781582 -1.303247 -0.127824
C 0.708486 -1.938342 0.101256
C -3.127408 -1.065037 0.593126
C 1.859902 -2.296711 1.066964
C -4.257125 -0.605505 -0.355903
C 3.237559 -2.418598 0.363966
C -5.605546 -0.370864 0.362515
C 1.549928 2.154146 0.278296
C 2.757502 1.926727 -0.658611
C 0.290626 2.641817 -0.472347
C 3.973558 1.294017 0.033873
C -0.935416 2.828800 0.450447
C 3.687299 -1.129784 -0.309315
C -6.725860 0.091649 -0.594232
C -2.199573 3.284326 -0.310200
H -0.517350 -0.965186 1.614280
H -0.930219 -2.671552 1.344097
H -1.917331 -2.074147 -0.914985
H -1.481289 -0.372537 -0.654662
H 0.604973 -2.731569 -0.667862
H 0.964527 -1.008054 -0.446962
H -2.986080 -0.302706 1.388419
H -3.438062 -1.997831 1.109110
H 1.636639 -3.259099 1.569229
H 1.932364 -1.527456 1.858606
H -3.948282 0.332089 -0.864984
H -4.396605 -1.362072 -1.156508
H 4.005812 -2.701212 1.109989
H 3.218589 -3.200944 -0.414489
H -5.464773 0.384771 1.162377
H -5.914979 -1.307065 0.870847
H 1.822414 2.890288 1.063370
H 1.317182 1.207948 0.806092
H 2.463963 1.286428 -1.512799
H 3.083414 2.895235 -1.091782
H 0.036757 1.910935 -1.269348
H 0.510201 3.599571 -0.989577
H 4.285055 1.864965 0.924673
H 4.818179 1.181193 -0.668946
H -1.142933 1.872298 0.973757
H -0.689829 3.568019 1.240209
H -6.453174 1.040661 -1.093766
H -7.678224 0.254204 -0.056573
H -6.907830 -0.661528 -1.384203
H -2.027706 4.248728 -0.824609
H -2.487220 2.541627 -1.078890
H -3.059517 3.413652 0.372661


