%chk=000111442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111442

0 1
 O    2.840100      0.4183000     -0.5071000    
 O    4.411500       1.259800      0.9625000    
 C  -0.1422000      -1.141200       1.007500    
 C   -1.826900      0.7144000      0.2842000    
 C   -1.612500     -0.6482000      0.9922000    
 C   0.4277000      -1.336600     -0.4136000    
 C   -3.312100       1.140600      0.3606000    
 C    1.893700      -1.811100     -0.5072000    
 C   -4.323300      0.1891000     -0.3121000    
 C  -6.4599998E-02  -2.431600       1.833000    
 C  -0.9246000       1.776900      0.9248000    
 C    2.865200     -0.8344000      0.1669000    
 C    2.268300      -2.011300      -1.982900    
 C   -3.942800     -7.4999998E-03  -1.783100    
 C   -5.760900      0.7017000     -0.2182000    
 C    3.667200       1.382000     -1.1000000E-03
 C    3.536300       2.639100     -0.8063000    
 H   0.4591000     -0.3984000       1.540700    
 H   -1.542300      0.6421000     -0.7695000    
 H   -2.219900      -1.417500      0.5017000    
 H   -1.976300     -0.5727000       2.025500    
 H  -0.2070000      -2.059900     -0.9434000    
 H   0.3427000     -0.3976000     -0.9719000    
 H   -3.595000       1.261300       1.414900    
 H   -3.412400       2.135800     -9.3599997E-02
 H    1.988400      -2.784700     -1.2800000E-02
 H   -4.298900     -0.7854000      0.1881000    
 H  -0.5839000      -3.254600       1.330600    
 H  -0.5241000      -2.293000       2.817700    
 H   0.9725000      -2.734800       2.004800    
 H   -1.162100       2.770200      0.5279000    
 H   -1.056700       1.811600       2.011400    
 H   0.1325000       1.598500      0.7072000    
 H    2.618400     -0.6976000       1.224800    
 H    3.881400      -1.244900      0.1111000    
 H    2.156800      -1.087600      -2.560500    
 H    1.628600      -2.772600      -2.442200    
 H    3.306000      -2.348500      -2.076700    
 H   -3.005900     -0.5625000      -1.888500    
 H   -3.839400      0.9515000      -2.302300    
 H   -4.711200     -0.5886000      -2.305300    
 H   -6.460200     -6.3000000E-03 -0.6755000    
 H   -5.872200       1.666000     -0.7257000    
 H   -6.054600      0.8344000      0.8283000    
 H    2.507300       3.004000     -0.7576000    
 H    3.828700       2.447600      -1.841800    
 H    4.197900       3.405600     -0.3928000    


%chk=000111442-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111442

0 1
O 2.800105 0.424592 -0.367716
O 4.560336 1.108335 0.998122
C -0.101546 -1.135192 0.980461
C -1.801142 0.721718 0.162164
C -1.564192 -0.607664 0.932364
C 0.458639 -1.358309 -0.449902
C -3.286973 1.169891 0.258240
C 1.925748 -1.859528 -0.551772
C -4.357302 0.184840 -0.288077
C -0.044475 -2.425821 1.833619
C -0.882424 1.858029 0.675171
C 2.917671 -0.956222 0.196628
C 2.339093 -2.031834 -2.032798
C -4.126588 -0.162025 -1.778837
C -5.771758 0.780428 -0.086412
C 3.696011 1.374526 0.132373
C 3.455045 2.721568 -0.516405
H 0.519250 -0.365674 1.484197
H -1.564438 0.557484 -0.909236
H -2.198099 -1.403833 0.488656
H -1.921979 -0.470965 1.976130
H -0.192361 -2.092862 -0.970463
H 0.387834 -0.412577 -1.019036
H -3.517740 1.387584 1.323719
H -3.398819 2.132289 -0.286621
H 1.998853 -2.850796 -0.056627
H -4.302493 -0.756540 0.297104
H -0.616957 -3.241522 1.349777
H -0.483235 -2.255290 2.834621
H 0.990520 -2.784606 1.983014
H -1.120421 2.811899 0.167062
H -1.018741 2.013933 1.763377
H 0.185437 1.637674 0.493599
H 2.708173 -0.900784 1.280135
H 3.961404 -1.296569 0.065534
H 2.319804 -1.058437 -2.555191
H 1.645708 -2.715534 -2.555976
H 3.359926 -2.448485 -2.122296
H -3.163759 -0.680154 -1.941216
H -4.123805 0.757867 -2.395825
H -4.929828 -0.820877 -2.158836
H -6.555831 0.076693 -0.423488
H -5.886976 1.717130 -0.666073
H -5.960408 1.017182 0.977792
H 2.426963 3.065423 -0.306054
H 3.556541 2.640997 -1.612460
H 4.177531 3.453415 -0.127842


