%chk=000048111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048111

0 1
 O   0.7286000      0.1186000     -0.6227000    
 O    1.378600      -1.226600       1.128600    
 O    4.044600      -1.703700      0.9246000    
 N   -3.508200     -5.9000000E-02 -0.3806000    
 C   -4.874700     -0.6270000     -0.3173000    
 C   -5.511600     -0.3372000       1.056900    
 C   -3.522900       1.392700     -0.1276000    
 C   -5.518500       1.151700       1.378100    
 C   -4.116600       1.724300       1.239500    
 C   -2.851900     -0.3160000      -1.665900    
 C   -4.895500      -2.145700     -0.5428000    
 C   -1.429900      0.2358000      -1.654000    
 C  -0.5835000     -0.4243000     -0.5740000    
 C    1.614300     -0.3727000      0.2879000    
 C    2.941900      0.2739000      0.1340000    
 C    4.088100     -0.4233000      0.4594000    
 C    2.982400       1.572100     -0.3362000    
 C    5.325600      0.2026000      0.3087000    
 C    4.220000       2.197900     -0.4867000    
 C    5.391500       1.513200     -0.1643000    
 C    4.097500      -2.747200     -4.5800000E-02
 H   -5.501100     -0.1625000      -1.091700    
 H   -6.542800     -0.7104000       1.079100    
 H   -4.963500     -0.8734000       1.843300    
 H   -4.081700       1.920800     -0.9116000    
 H   -2.518700       1.821200     -9.2399999E-02
 H   -6.199600       1.672500      0.6941000    
 H   -5.893600       1.315800       2.394200    
 H   -3.473200       1.318300       2.030700    
 H   -4.146800       2.811100       1.378300    
 H   -2.780200      -1.390800      -1.862500    
 H   -3.413600      0.1308000      -2.495900    
 H   -5.892100      -2.553700     -0.3395000    
 H   -4.657000      -2.407100      -1.578300    
 H   -4.185400      -2.657200      0.1166000    
 H   -1.365500       1.327300      -1.610700    
 H  -0.9715000     -1.5000000E-03  -2.624600    
 H   -1.000000     -0.2372000      0.4219000    
 H  -0.5350000      -1.506900     -0.7425000    
 H    2.086400       2.134800     -0.5806000    
 H    6.242600     -0.3240000      0.5591000    
 H    4.271400       3.219600     -0.8515000    
 H    6.355000       2.000800     -0.2804000    
 H    4.001900      -3.703900      0.4748000    
 H    3.275900      -2.656100     -0.7632000    
 H    5.057300      -2.729600     -0.5718000    


%chk=000048111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048111

0 1
O 0.821243 0.098533 -0.847259
O 1.386365 -1.305181 0.918229
O 4.465222 -1.776739 0.835109
N -3.541757 0.094021 -0.446577
C -4.824835 -0.674163 -0.309404
C -5.385516 -0.493334 1.124777
C -3.738097 1.538071 -0.136605
C -5.585132 0.988987 1.499310
C -4.263958 1.756873 1.293496
C -2.879211 -0.078981 -1.768243
C -4.638856 -2.179529 -0.599448
C -1.399717 0.372754 -1.775426
C -0.596609 -0.341356 -0.687953
C 1.736804 -0.452304 0.060361
C 3.091553 0.147712 -0.092213
C 4.295047 -0.467174 0.387195
C 3.176285 1.479176 -0.604814
C 5.498962 0.288495 0.426643
C 4.375691 2.207377 -0.587760
C 5.542051 1.610107 -0.044341
C 3.665897 -2.892382 0.298238
H -5.587921 -0.263786 -1.026904
H -6.343922 -1.042733 1.199525
H -4.674575 -0.963848 1.833100
H -4.452941 2.004913 -0.866791
H -2.770991 2.058180 -0.254729
H -6.373175 1.432010 0.855233
H -5.934011 1.080055 2.545475
H -3.505802 1.394191 2.014315
H -4.404291 2.840792 1.470301
H -2.903682 -1.150432 -2.029049
H -3.427535 0.466214 -2.579917
H -5.538484 -2.730233 -0.269897
H -4.495098 -2.404911 -1.670554
H -3.770624 -2.569374 -0.036478
H -1.307148 1.466483 -1.644045
H -0.967504 0.137031 -2.766574
H -0.947700 -0.085330 0.325506
H -0.641798 -1.441413 -0.793954
H 2.258684 1.932257 -0.989211
H 6.392233 -0.211891 0.812439
H 4.403804 3.230385 -0.975998
H 6.484628 2.167434 -0.008282
H 4.317594 -3.774588 0.398525
H 2.737470 -3.011345 0.876943
H 3.420357 -2.722221 -0.767595


