%chk=000039638.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039638

0 1
 O   -4.057600      -2.837500      0.5020000    
 O   -5.746300      -1.310100     -0.2792000    
 O    1.119900      0.3174000      -1.730700    
 N   -2.318900       2.210500     -0.5446000    
 C   0.6628000      0.3761000      0.6008000    
 C  -0.6802000      0.8803000      0.1757000    
 C    1.393900       1.281100       1.600800    
 C  -0.9811000       2.162200     -0.2509000    
 C    1.844900       2.656000       1.092800    
 C  -0.1067000       3.355300     -0.4175000    
 C   0.7145000       3.654600      0.8340000    
 C   -1.902100      0.1257000      0.1297000    
 C   -2.909000      0.9893000     -0.3243000    
 C    1.520800      8.2999997E-02 -0.5930000    
 C   -2.235900      -1.215700      0.4332000    
 C   -4.245300      0.5978000     -0.4958000    
 C   -3.557700      -1.592900      0.2607000    
 C   -4.520400     -0.7214000     -0.1850000    
 C    2.876600     -0.4998000     -0.3853000    
 C    3.088800      -1.307900      0.7094000    
 C    3.868000     -0.2091000      -1.296200    
 C   -5.444600      -2.649600      0.1586000    
 C    4.357700      -1.853400      0.9035000    
 C    5.137000     -0.7548000      -1.102200    
 C    5.381900      -1.577100     -2.3000001E-03
 C    6.739000      -2.159900      0.2058000    
 H   0.4736000     -0.5779000       1.107600    
 H    2.279300      0.7809000       2.005600    
 H   0.7399000       1.437400       2.470200    
 H    2.470500       2.554200      0.1989000    
 H    2.492400       3.091400       1.865300    
 H   0.5548000       3.207500      -1.279500    
 H  -0.7223000       4.234900     -0.6444000    
 H    1.170400       4.644500      0.7049000    
 H   6.5099999E-02   3.723100       1.715700    
 H   -2.806900       3.029300     -0.8807000    
 H   -1.492500      -1.922900      0.7849000    
 H   -5.005200       1.284300     -0.8484000    
 H    2.314100      -1.569800       1.420700    
 H    3.691900      0.4341000      -2.153100    
 H   -5.705400      -3.348700     -0.6443000    
 H   -6.058200      -2.878500       1.037400    
 H    4.535500      -2.495900       1.762000    
 H    5.927500     -0.5294000      -1.813200    
 H    6.678900      -3.131600      0.7078000    
 H    7.249300      -2.324300     -0.7494000    
 H    7.347400      -1.486100      0.8171000    


%chk=000039638-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039638

0 1
O -3.482308 -3.074558 0.548557
O -5.332695 -1.851108 -0.341549
O 1.653166 1.343457 -1.449724
N -2.442078 2.266311 -0.543602
C 0.767052 0.848784 0.776133
C -0.628818 1.184207 0.306846
C 1.378748 1.899268 1.773036
C -1.095273 2.416216 -0.163989
C 1.665568 3.315230 1.214214
C -0.391076 3.735897 -0.337760
C 0.422977 4.185741 0.902570
C -1.725735 0.238584 0.208340
C -2.860909 0.951364 -0.327603
C 1.756719 0.646499 -0.395900
C -1.844361 -1.151114 0.522975
C -4.124989 0.351657 -0.568999
C -3.085910 -1.728563 0.275835
C -4.190306 -1.003967 -0.252455
C 2.884111 -0.340428 -0.255522
C 3.110218 -1.119478 0.911348
C 3.773031 -0.501495 -1.355160
C -4.788418 -3.216208 -0.133155
C 4.189027 -2.026090 0.972479
C 4.843613 -1.409476 -1.290980
C 5.075452 -2.187752 -0.123382
C 6.248396 -3.146852 -0.048162
H 0.702366 -0.099180 1.342816
H 2.327348 1.485918 2.170878
H 0.678218 1.980713 2.627639
H 2.293914 3.243941 0.304779
H 2.274926 3.848341 1.971758
H 0.295712 3.664373 -1.204551
H -1.136086 4.521170 -0.579345
H 0.767804 5.224109 0.724388
H -0.241324 4.214089 1.789651
H -3.022585 3.019715 -0.905883
H -1.014543 -1.737044 0.926842
H -4.983263 0.894769 -0.972097
H 2.448499 -1.029699 1.778884
H 3.589753 0.100070 -2.251699
H -4.632653 -3.693638 -1.121642
H -5.474601 -3.780013 0.515656
H 4.344856 -2.620546 1.880680
H 5.511729 -1.524368 -2.153225
H 6.091409 -3.923474 0.720034
H 6.422254 -3.649983 -1.015900
H 7.181169 -2.608790 0.211046


