%chk=000043459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043459

0 1
 O    1.626300      0.6151000       1.049300    
 O    2.773900       1.539500     -0.7119000    
 N   -1.137500      4.0199999E-02  0.2133000    
 N    3.778300      4.3499999E-02  0.7505000    
 C   -2.528200      0.1987000     -0.2238000    
 C  -0.8731000      0.9630000       1.344200    
 C  -0.2601000      0.8876000     -0.6309000    
 C   -3.471100     -0.1302000      0.9524000    
 C   -2.804600     -0.7583000      -1.402100    
 C   0.4367000       1.364400      0.6514000    
 C   -3.432800      -1.605600       1.357200    
 C   -2.765700      -2.233800     -0.9980000    
 C   -3.706100      -2.521600      0.1683000    
 C   -2.749600       1.593300     -0.6584000    
 C    2.733200      0.8025000      0.2677000    
 C   -2.930000       2.726300      -1.011600    
 C    5.092500      1.4300000E-02  0.1508000    
 C    5.221400      -1.070000     -0.9123000    
 C    4.996400      -2.468800     -0.3562000    
 H  -0.7398000      0.4545000       2.305700    
 H   -1.532200       1.823100       1.513500    
 H  -0.5998000       1.718000      -1.252600    
 H   0.3743000      0.2834000      -1.292900    
 H   -4.503300      0.1054000      0.6521000    
 H   -3.296300      0.4917000       1.838300    
 H   -2.093900     -0.5915000      -2.222800    
 H   -3.796800     -0.5426000      -1.823700    
 H   0.6335000       2.442300      0.6952000    
 H   -4.182100      -1.788900       2.136100    
 H   -2.457900      -1.849900       1.795500    
 H   -1.742900      -2.520600     -0.7257000    
 H   -3.048000      -2.854400      -1.856200    
 H   -3.601600      -3.567900      0.4770000    
 H   -4.744100      -2.389200     -0.1612000    
 H   -3.088700       3.731600      -1.324600    
 H    3.612400     -0.5302000       1.571800    
 H    5.300500      0.9933000     -0.2947000    
 H    5.814400     -0.1504000      0.9576000    
 H    6.223200      -1.018600      -1.353700    
 H    4.502600     -0.8890000      -1.720400    
 H    5.692500      -2.682500      0.4611000    
 H    5.156200      -3.215300      -1.140900    
 H    3.975500      -2.592400      1.8300001E-02


%chk=000043459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043459

0 1
O 1.605357 0.607885 0.873916
O 2.916486 1.585140 -0.833222
N -1.334513 0.271741 0.162602
N 3.787709 0.000873 0.676718
C -2.786028 0.332683 -0.167588
C -0.777116 1.114225 1.287661
C -0.308532 0.826535 -0.800757
C -3.597838 -0.221781 1.047194
C -3.049583 -0.554873 -1.426405
C 0.465912 1.422540 0.412745
C -3.307810 -1.716446 1.307993
C -2.763285 -2.048857 -1.156879
C -3.581986 -2.569735 0.047520
C -3.215618 1.735385 -0.452167
C 2.801915 0.796342 0.141534
C -3.482043 2.921021 -0.671930
C 5.143925 -0.052676 0.109167
C 5.397107 -1.294970 -0.778543
C 5.266841 -2.632348 -0.018911
H -0.579645 0.558477 2.219675
H -1.368945 2.028858 1.503437
H -0.696075 1.625045 -1.467685
H 0.224752 0.065791 -1.394811
H -4.674272 -0.075388 0.831470
H -3.367494 0.383541 1.944905
H -2.433505 -0.184324 -2.267837
H -4.108308 -0.418609 -1.721498
H 0.786849 2.469791 0.315326
H -3.927712 -2.067922 2.155760
H -2.246566 -1.833754 1.598073
H -1.685494 -2.179207 -0.943007
H -2.996745 -2.636209 -2.066298
H -3.334272 -3.630414 0.245297
H -4.664507 -2.529957 -0.197076
H -3.746183 3.943090 -0.872211
H 3.532761 -0.598080 1.462202
H 5.278444 0.866983 -0.485992
H 5.874930 -0.031672 0.941406
H 6.416905 -1.204867 -1.203027
H 4.692569 -1.272348 -1.631650
H 5.969356 -2.678384 0.835592
H 5.488302 -3.488549 -0.681019
H 4.241558 -2.774574 0.371018


