%chk=000013501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013501

0 1
 O   0.2381000       1.051700      0.7310000    
 O   -1.671400       1.757300     -0.7113000    
 O   -4.374900       2.266200     -2.0199999E-02
 O   -5.914000      0.5472000      0.6727000    
 O    4.398100       1.927500      9.7499996E-02
 O    1.659500       2.865100      0.5586000    
 O    5.855800     -0.4216000     -0.2145000    
 N  -0.3130000      -2.346900     -0.6859000    
 C  -0.5812000     -0.9105000     -0.4553000    
 C   0.3310000     -0.3970000      0.6706000    
 C   -2.034200     -0.5751000     -0.1543000    
 C  -0.9874000      -3.195300      0.3039000    
 C   -2.941600      -1.583300      0.2603000    
 C   -2.507700      -3.024900      0.3269000    
 C    1.774200     -0.6121000      0.4250000    
 C   -2.473500      0.7564000     -0.2649000    
 C  -0.6208000      -2.750000      -2.058500    
 C    2.422300      0.6057000      0.3667000    
 C   -4.277100      -1.258200      0.5496000    
 C   -3.789800       1.038800      3.4899998E-02
 C   -4.666900      5.9200000E-02  0.4314000    
 C    1.448400       1.668700      0.5557000    
 C    2.485700      -1.789400      0.2744000    
 C    3.784000      0.7191000      0.1538000    
 C    3.864700      -1.709100      5.7700001E-02
 C    4.509600     -0.4622000     -2.4000001E-03
 C   -5.720900       1.947800      0.3879000    
 C   -1.669100       2.011800      -2.115800    
 C    5.078700       2.259200      -1.114200    
 C    6.693500     -0.4460000      0.9389000    
 H  -0.2997000     -0.3747000      -1.372200    
 H   4.3699998E-02 -0.7761000       1.658400    
 H  -0.5871000      -2.970200       1.300500    
 H  -0.7378000      -4.250000      0.1326000    
 H   -2.897800      -3.484700       1.243000    
 H   -2.952900      -3.556500     -0.5232000    
 H   8.2999999E-03  -2.197400      -2.765500    
 H   -1.667000      -2.580900      -2.333500    
 H  -0.3925000      -3.811100      -2.208100    
 H   -4.986000      -2.021900      0.8523000    
 H    2.019100      -2.764100      0.3509000    
 H    4.440100      -2.624500     -5.7500001E-02
 H   -6.409100       2.241200     -0.4130000    
 H   -5.961000       2.525500       1.288000    
 H   -2.585200       2.538400      -2.400000    
 H   -1.580200       1.085900      -2.692800    
 H  -0.8125000       2.651200      -2.345400    
 H    4.635900       1.761500      -1.984000    
 H    6.139300       2.007000      -1.029000    
 H    4.997300       3.340300      -1.260000    
 H    6.549600      -1.376100       1.497600    
 H    6.488700      0.4150000       1.583100    
 H    7.734200     -0.3944000      0.6076000    


%chk=000013501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013501

0 1
O 0.230556 0.536837 1.034319
O -1.141229 1.142610 -1.449448
O -3.990925 2.314796 -1.013020
O -5.712585 1.025272 0.021305
O 4.524461 1.718294 -0.023694
O 1.463963 2.494775 1.055673
O 5.988768 -0.609409 -0.582879
N -0.483857 -2.879842 -0.407054
C -0.535778 -1.394348 -0.428019
C 0.432238 -0.903589 0.710062
C -1.954433 -0.820361 -0.302037
C -1.319581 -3.455881 0.678786
C -3.015890 -1.594529 0.237872
C -2.814026 -3.069464 0.574665
C 1.899381 -0.991585 0.346022
C -2.186692 0.516290 -0.766649
C -0.725976 -3.488897 -1.735499
C 2.472651 0.308506 0.366711
C -4.315637 -1.034425 0.405804
C -3.471306 1.051785 -0.583792
C -4.497230 0.286538 0.007313
C 1.430172 1.266323 0.824125
C 2.658619 -2.128280 0.032644
C 3.846393 0.501472 0.042717
C 4.035033 -1.949612 -0.231437
C 4.633868 -0.667962 -0.218313
C -5.311391 2.405893 -0.339510
C -1.028882 2.615659 -1.352184
C 3.878637 2.876327 -0.688388
C 6.915759 0.086232 0.337937
H -0.103834 -1.048918 -1.383391
H 0.196686 -1.448370 1.641568
H -0.920673 -3.110252 1.650847
H -1.202848 -4.554875 0.659051
H -3.330009 -3.321222 1.520977
H -3.300083 -3.678469 -0.215218
H 0.041344 -3.131640 -2.444810
H -1.726522 -3.256665 -2.168047
H -0.631219 -4.586742 -1.653278
H -5.138045 -1.621269 0.823262
H 2.186456 -3.113286 0.002778
H 4.683318 -2.798415 -0.471037
H -6.043409 2.821711 -1.046705
H -5.205829 3.005548 0.586323
H -0.839280 2.907872 -0.304652
H -1.936789 3.109218 -1.735941
H -0.158336 2.870547 -1.975216
H 3.072870 3.283107 -0.057899
H 3.484748 2.569413 -1.675365
H 4.692357 3.605569 -0.818916
H 6.927177 -0.422483 1.321317
H 6.630459 1.143255 0.459163
H 7.903880 0.000443 -0.138840


