%chk=000107685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107685

0 1
 O   -1.643400       2.315000     -0.2993000    
 O   -1.568600      -3.061400      0.2326000    
 O    1.707600       2.728800      0.7216000    
 O    6.158700      0.2411000       1.067700    
 N   -4.025600      0.9942000      4.0600002E-02
 N   0.9313000      -1.463300     -0.1444000    
 C   -5.235800      0.3372000     -0.4404000    
 C   -5.032100      0.6054000       1.022200    
 C   -2.863300      0.2747000      1.0800000E-02
 C  -0.3827000      0.3304000     -0.2089000    
 C  -0.3688000      -1.041000     -7.2899997E-02
 C   -1.609400       1.095900     -0.1795000    
 C   0.9618000      0.7508000     -0.3678000    
 C   -2.819100      -1.065900      0.1410000    
 C    1.751500     -0.3785000     -0.3245000    
 C   -1.544600      -1.841100      0.1087000    
 C    1.436500       2.139100     -0.5488000    
 C    1.365000      -2.843100     -4.4500001E-02
 C    3.141800     -0.5729000     -0.4272000    
 C    4.083000      0.3383000     -7.4299999E-02
 C    5.556100      0.1163000     -0.2128000    
 H   -5.170400     -0.6664000     -0.8296000    
 H   -5.883200       1.006600     -0.9918000    
 H   -5.540400       1.453100       1.460600    
 H   -4.793900     -0.2068000       1.692400    
 H   -3.694900      -1.687700      0.2952000    
 H    2.342100       2.193400      -1.159700    
 H   0.6970000       2.760500      -1.062900    
 H   0.7393000      -3.372500      0.6762000    
 H    1.287400      -3.297600      -1.035000    
 H    2.387700      -2.905800      0.3318000    
 H    3.504700      -1.504100     -0.8564000    
 H    3.803700       1.285600      0.3732000    
 H   0.8661000       2.781500       1.206500    
 H    5.983500      0.8742000     -0.8764000    
 H    5.788600     -0.8756000     -0.6128000    
 H    7.115000      0.1136000      0.9467000    


%chk=000107685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107685

0 1
O -1.792641 2.082138 0.062169
O -1.458082 -3.446811 -0.291991
O 0.835843 2.914926 0.694733
O 6.200463 0.035665 1.348791
N -4.124207 0.586738 -0.166611
N 1.001949 -1.633905 -0.393226
C -5.394229 0.298616 0.527394
C -4.682748 1.658564 0.676083
C -2.912286 -0.072000 -0.134731
C -0.408392 0.130242 -0.271203
C -0.335825 -1.285199 -0.312001
C -1.677506 0.818052 -0.121348
C 0.929135 0.658061 -0.339489
C -2.803930 -1.456326 -0.179914
C 1.796834 -0.460370 -0.394451
C -1.523121 -2.162028 -0.262399
C 1.278799 2.123426 -0.458995
C 1.540464 -3.007883 -0.418531
C 3.254731 -0.554299 -0.463951
C 4.132864 0.290685 0.149934
C 5.624501 0.191048 -0.004559
H -5.358225 -0.396466 1.376592
H -6.284825 0.222874 -0.104682
H -5.068060 2.532607 0.142975
H -4.176425 1.876754 1.622658
H -3.699782 -2.086454 -0.167834
H 2.367118 2.266088 -0.522978
H 0.823561 2.525075 -1.390606
H 0.702900 -3.706802 -0.277510
H 2.022244 -3.213784 -1.391488
H 2.285212 -3.132099 0.385561
H 3.666499 -1.390682 -1.049046
H 3.778282 1.085470 0.818366
H -0.165698 2.901134 0.666262
H 6.011425 1.119366 -0.481089
H 5.893611 -0.672257 -0.649331
H 7.151745 0.311837 1.334343


