%chk=000045947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045947

0 1
 O   -1.783900     -0.5602000      0.2398000    
 O  -0.7341000       1.541600      0.2685000    
 O   -4.485200      -1.109300     -0.5144000    
 C  -0.6028000      0.1577000      0.6335000    
 C   0.5947000     -0.4429000     -9.1899998E-02
 C    1.914300      0.2680000      0.2617000    
 C   -2.732500      0.4580000     -9.0800002E-02
 C   -1.862800       1.578800     -0.6061000    
 C  -0.4377000      6.6399999E-02   2.145200    
 C   0.7039000      -1.933500      0.2391000    
 C    3.130800     -0.3015000     -0.4743000    
 C   -3.734800     -5.6699999E-02  -1.101600    
 C    4.406000      0.4586000     -0.1055000    
 C    5.624100     -0.1250000     -0.8033000    
 H   0.4311000     -0.3510000      -1.174100    
 H    2.116500      0.1976000       1.336100    
 H    1.827900       1.335500      2.4499999E-02
 H   -3.233100      0.7404000      0.8437000    
 H   -1.507300       1.397900      -1.626600    
 H   -2.348200       2.557300     -0.5623000    
 H   0.3947000      0.6680000       2.520600    
 H   -1.334000      0.4706000       2.633200    
 H  -0.3460000     -0.9625000       2.504000    
 H    1.113400      -2.110600       1.239000    
 H  -0.2591000      -2.449300      0.1691000    
 H    1.362900      -2.438800     -0.4755000    
 H    2.966400     -0.2466000      -1.557100    
 H    3.275000      -1.356300     -0.2176000    
 H   -3.240200     -0.4587000      -1.991700    
 H   -4.428700      0.7315000      -1.407900    
 H    4.303100       1.514200     -0.3823000    
 H    4.562900      0.4210000      0.9789000    
 H    6.523200      0.4352000     -0.5282000    
 H    5.775900      -1.171300     -0.5192000    
 H    5.513300     -7.6700002E-02  -1.891300    
 H   -3.856500      -1.798000     -0.2385000    


%chk=000045947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045947

0 1
O -1.852979 -0.506805 0.353418
O -0.693173 1.564039 0.375538
O -4.420470 -1.183789 -0.740686
C -0.589912 0.143101 0.822659
C 0.593695 -0.556075 0.100313
C 1.945456 0.122342 0.447953
C -2.747461 0.549613 -0.196841
C -1.746973 1.624489 -0.655466
C -0.539427 0.155256 2.350488
C 0.606876 -2.078833 0.376499
C 3.107627 -0.294431 -0.481886
C -3.585991 -0.113579 -1.290642
C 4.425965 0.445583 -0.157468
C 5.592718 0.030391 -1.079323
H 0.402842 -0.404489 -0.983571
H 2.220852 -0.116780 1.496207
H 1.815241 1.221033 0.389773
H -3.401532 0.927033 0.614619
H -1.337721 1.389804 -1.660236
H -2.152408 2.648113 -0.641024
H 0.320903 0.749063 2.702316
H -1.461882 0.609822 2.747441
H -0.451703 -0.870439 2.745770
H 0.927354 -2.294981 1.413121
H -0.394696 -2.514891 0.221517
H 1.310375 -2.591856 -0.302350
H 2.826009 -0.090053 -1.536517
H 3.283672 -1.386932 -0.410783
H -2.910259 -0.498601 -2.084021
H -4.293374 0.608968 -1.732939
H 4.258678 1.539013 -0.238307
H 4.700882 0.251462 0.899581
H 6.521839 0.574138 -0.827538
H 5.800990 -1.052884 -0.992116
H 5.354610 0.240991 -2.139204
H -3.823423 -1.789435 -0.229596


