%chk=000018268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018268

0 1
 O    1.052500      0.6324000       1.569800    
 O   -1.095300      0.4135000     -2.3000001E-03
 O   0.2674000       1.657500      -1.374900    
 N   -4.692500      0.9840000     -0.5677000    
 C    1.266100      0.1143000      0.2409000    
 C   -5.845700      0.1173000     -0.3276000    
 C   -3.487000      0.4071000      2.6200000E-02
 C    2.659400      0.5017000     -0.2607000    
 C    1.091700      -1.406000      0.2474000    
 C   -2.239500      0.9879000     -0.6202000    
 C   0.1230000      0.8370000     -0.4764000    
 C   -5.826600     -0.4037000       1.106700    
 C   -5.833300      -1.033500      -1.328800    
 C   -4.937600       2.321600     -2.9600000E-02
 C    2.874700      0.7215000      -1.621300    
 C    1.431800      -2.142300       1.382300    
 C    3.713900      0.6353000      0.6427000    
 C   0.5921000      -2.055700     -0.8814000    
 C    1.155300       2.042200       1.580200    
 C    4.144200       1.074800      -2.078500    
 C    1.272600      -3.528000       1.388500    
 C    4.983500      0.9886000      0.1853000    
 C   0.4328000      -3.441500     -0.8753000    
 C    5.198600       1.208300      -1.175200    
 C   0.7730000      -4.177600      0.2597000    
 C   0.9250000       2.543000       2.990100    
 H   -6.777500      0.6724000     -0.4967000    
 H   -3.417800     -0.6760000     -0.1327000    
 H   -3.426900      0.5587000       1.112800    
 H   -2.226800      0.7569000      -1.692600    
 H   -2.190500       2.074000     -0.4897000    
 H   -6.776700     -0.9145000       1.308900    
 H   -5.750700      0.3944000       1.851900    
 H   -5.047200      -1.147800       1.302000    
 H   -6.744700      -1.633100      -1.223700    
 H   -5.808300     -0.6574000      -2.357800    
 H   -4.985500      -1.712800      -1.197100    
 H   -5.860400       2.742000     -0.4468000    
 H   -4.144700       3.017400     -0.3219000    
 H   -5.018500       2.345000       1.062300    
 H    2.096900      0.5720000      -2.363300    
 H    1.830500      -1.660400       2.270600    
 H    3.581400      0.4477000       1.704800    
 H   0.3306000      -1.505900      -1.781300    
 H   0.3816000       2.537000      0.9849000    
 H    2.124100       2.427600       1.256100    
 H    4.315400       1.232500      -3.139400    
 H    1.539400      -4.101600       2.271300    
 H    5.806100       1.086800      0.8877000    
 H   4.6300001E-02  -3.947800      -1.755000    
 H    6.188100       1.479000      -1.531700    
 H   0.6501000      -5.256600      0.2641000    
 H   0.9819000       3.634600       3.035000    
 H    1.671300       2.124100       3.673300    
 H  -5.6899998E-02   2.226300       3.357600    


%chk=000018268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018268

0 1
O 1.500585 1.091175 1.710305
O -1.121162 0.437843 -0.019913
O 0.045082 2.325844 -0.689088
N -4.840810 0.789529 -0.236473
C 1.287239 0.440432 0.379274
C -5.906844 -0.110940 -0.774753
C -3.526090 0.158370 0.020052
C 2.543371 0.572302 -0.501286
C 0.995071 -1.040167 0.688434
C -2.401759 1.116083 -0.395393
C 0.039557 1.166247 -0.203826
C -6.240031 -1.323564 0.142085
C -5.573805 -0.568232 -2.211312
C -5.291993 1.649076 0.876080
C 2.549482 1.121978 -1.805186
C 0.641558 -1.458500 1.992394
C 3.760424 0.079812 0.041620
C 1.049403 -1.996553 -0.355022
C 1.998202 2.490343 1.705704
C 3.749602 1.171488 -2.554181
C 0.351248 -2.817509 2.249030
C 4.957112 0.139242 -0.699665
C 0.750821 -3.352191 -0.100176
C 4.956003 0.684373 -2.006602
C 0.399870 -3.769291 1.205074
C 2.144925 2.887951 3.174563
H -6.813694 0.524849 -0.836391
H -3.430716 -0.768173 -0.571107
H -3.385970 -0.126322 1.088398
H -2.408778 1.302498 -1.482966
H -2.451996 2.088256 0.126563
H -7.104560 -1.885011 -0.257682
H -6.493362 -0.997293 1.167605
H -5.385491 -2.023011 0.203668
H -6.425801 -1.124572 -2.643583
H -5.360722 0.306913 -2.849321
H -4.695287 -1.239624 -2.237486
H -6.210866 2.186820 0.580951
H -4.522991 2.408897 1.104211
H -5.503100 1.092443 1.822910
H 1.631365 1.530362 -2.235645
H 0.604271 -0.716725 2.793682
H 3.755101 -0.349728 1.049871
H 1.334945 -1.684174 -1.366161
H 1.279545 3.143802 1.175652
H 2.968825 2.535325 1.174983
H 3.738568 1.598555 -3.563340
H 0.083978 -3.132217 3.264528
H 5.887210 -0.243525 -0.264603
H 0.797771 -4.082213 -0.916325
H 5.883903 0.726979 -2.588081
H 0.172901 -4.822684 1.405754
H 2.518329 3.925916 3.247473
H 2.857237 2.222958 3.693217
H 1.173024 2.829758 3.694984


