%chk=000060244.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060244

0 1
 O  -0.1619000      0.2984000     -4.8099998E-02
 O  -0.9032000      -1.276500      -1.554400    
 N    1.878800       2.331200      7.9200000E-02
 N   -5.000200      0.7086000      0.5703000    
 C    2.146000      0.9257000      0.3828000    
 C    1.192100      9.2000002E-03 -0.3932000    
 C    2.732500       3.200200      0.8884000    
 C    2.084500       2.594500      -1.344500    
 C    1.456100      -1.449400     -8.9900002E-02
 C    2.531800       2.940100       2.371700    
 C    1.752300       4.036300      -1.689800    
 C    2.362600      -2.148600     -0.8683000    
 C   0.7852000      -2.054000      0.9594000    
 C    2.605600      -3.493300     -0.5887000    
 C    1.028600      -3.398700       1.239100    
 C   -1.108300     -0.4205000     -0.7078000    
 C    1.938700      -4.118500      0.4650000    
 C   -2.468200     -2.5900001E-02 -0.2614000    
 C   -3.476900     -0.9603000     -0.2894000    
 C   -2.681600       1.263000      0.1680000    
 C   -4.727200     -0.5427000      0.1375000    
 C   -3.967500       1.581100      0.5743000    
 H    1.963400      0.7218000       1.443400    
 H    3.191000      0.6628000      0.1709000    
 H    1.304700      0.1265000      -1.476300    
 H    3.794000       3.085000      0.6350000    
 H    2.467600       4.251200      0.7342000    
 H    3.108000       2.360700      -1.663600    
 H    1.402300       2.007000      -1.963400    
 H    1.470400       2.893200       2.638800    
 H    3.028400       2.025000       2.708800    
 H    2.974500       3.760300       2.948600    
 H   0.7843000       4.340300      -1.276500    
 H    2.521000       4.736300      -1.348700    
 H    1.691200       4.148600      -2.778500    
 H    2.888600      -1.670000      -1.689200    
 H   9.3800001E-02  -1.513400       1.598800    
 H    3.315000      -4.053600      -1.190800    
 H   0.5145000      -3.883800       2.063700    
 H    2.129400      -5.165000      0.6838000    
 H   -3.322000      -1.980200     -0.6217000    
 H   -1.908500       2.022300      0.1884000    
 H   -5.569200      -1.227100      0.1436000    
 H   -4.209000       2.580200      0.9222000    


%chk=000060244-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060244

0 1
O -0.061124 -0.246628 0.077111
O -0.731164 0.551759 -2.021357
N 1.770739 2.005178 -0.225633
N -4.734462 1.389906 1.084546
C 2.208837 0.660612 0.187339
C 1.331466 -0.467752 -0.421396
C 1.970265 3.047118 0.815993
C 2.275511 2.397495 -1.569948
C 1.787148 -1.849028 0.008537
C 0.966500 2.939236 1.980057
C 1.365478 3.415322 -2.282506
C 2.540392 -2.651984 -0.882321
C 1.519287 -2.331535 1.314562
C 3.026032 -3.915300 -0.474762
C 1.995552 -3.596938 1.720068
C -0.957797 0.354700 -0.802449
C 2.754686 -4.391181 0.828312
C -2.247877 0.696585 -0.121344
C -3.298414 1.249436 -0.894100
C -2.459956 0.495542 1.264644
C -4.512203 1.577630 -0.252400
C -3.709999 0.854256 1.815629
H 2.147090 0.573527 1.286617
H 3.269552 0.442420 -0.092089
H 1.307182 -0.383095 -1.522981
H 3.016325 3.032837 1.214771
H 1.836261 4.029808 0.329494
H 3.322267 2.789743 -1.508596
H 2.318441 1.484766 -2.192397
H -0.066765 2.988353 1.594650
H 1.076596 1.990835 2.537044
H 1.119898 3.766789 2.697695
H 0.356814 2.986673 -2.404341
H 1.279461 4.362845 -1.720300
H 1.771266 3.656812 -3.282732
H 2.740779 -2.292699 -1.899395
H 0.917323 -1.724450 1.999472
H 3.605667 -4.528824 -1.173397
H 1.774754 -3.966073 2.727920
H 3.124661 -5.373056 1.143863
H -3.155078 1.413416 -1.966192
H -1.668813 0.072032 1.887695
H -5.346916 2.007437 -0.816839
H -3.912464 0.713477 2.883156


