%chk=000038697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038697

0 1
 O  -0.5208000     -0.6619000       1.620500    
 O   -1.154000      -1.039900      -1.891300    
 N    2.018100     -0.7331000      0.3503000    
 N    4.379100      0.8077000     -0.2903000    
 N  -0.3482000      -1.001400      0.2708000    
 C    1.932700      0.4967000     -0.4466000    
 C    3.320700      -1.381000      0.1542000    
 C    3.076000       1.454900     -9.4800003E-02
 C    4.464800     -0.4234000      0.5050000    
 C   0.9281000      -1.646600      1.3700000E-02
 C    5.468600       1.721400      4.8400000E-02
 C   -1.284600     -0.7510000     -0.7031000    
 C   -2.541000     -8.9500003E-02 -0.2986000    
 C   -2.614700       1.292400     -0.3185000    
 C   -3.617800     -0.8671000      9.0200000E-02
 C   -3.802800       1.916300      6.2199999E-02
 C   -4.805800     -0.2431000      0.4709000    
 C   -4.898400       1.148600      0.4569000    
 H   0.9995000       1.035800     -0.2484000    
 H    1.958600      0.2705000      -1.521500    
 H    3.434300      -1.727300     -0.8821000    
 H    3.397500      -2.262000      0.8029000    
 H    2.999600       2.335900     -0.7436000    
 H    2.962000       1.801200      0.9415000    
 H    4.440300     -0.1977000       1.579800    
 H    5.414800     -0.9316000      0.3000000    
 H   0.9666000      -2.537800      0.6511000    
 H   0.9802000      -1.973200      -1.031500    
 H    6.438900       1.249600     -0.1422000    
 H    5.437200       2.033500       1.098500    
 H    5.426800       2.618500     -0.5793000    
 H  -0.8735000      -1.498500       1.968900    
 H   -1.765400       1.896400     -0.6247000    
 H   -3.552900      -1.951400      0.1036000    
 H   -3.874700       3.000000      5.1300000E-02
 H   -5.658800     -0.8410000      0.7783000    
 H   -5.823500       1.634300      0.7533000    


%chk=000038697-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038697

0 1
O -0.384451 -1.513788 1.739759
O -0.895632 -0.722253 -1.766657
N 2.050852 -1.030852 -0.215673
N 4.205607 0.857733 -0.262392
N -0.314608 -1.586055 0.276843
C 2.603854 -0.576140 -1.506028
C 3.013869 -0.984221 0.897816
C 3.194365 0.836673 -1.349251
C 3.601946 0.433603 1.024116
C 1.030175 -2.050048 -0.215115
C 4.886690 2.161891 -0.156762
C -1.125988 -0.758229 -0.512436
C -2.297913 -0.020871 0.081215
C -2.320633 0.565203 1.375706
C -3.410809 0.167688 -0.783703
C -3.445852 1.310954 1.793880
C -4.538919 0.895098 -0.354252
C -4.560839 1.469021 0.939375
H 1.790159 -0.555051 -2.251527
H 3.411525 -1.256542 -1.868832
H 3.855781 -1.702056 0.741811
H 2.493754 -1.249494 1.835382
H 3.685212 1.139354 -2.293464
H 2.357430 1.552469 -1.145070
H 2.784888 1.130900 1.344409
H 4.387569 0.441147 1.803543
H 1.285089 -2.904408 0.441243
H 0.844814 -2.417567 -1.238207
H 5.672325 2.110100 0.618792
H 4.195978 3.003671 0.106023
H 5.371365 2.406941 -1.119055
H -1.023203 -2.234533 1.995527
H -1.459816 0.451295 2.037778
H -3.360300 -0.252047 -1.793646
H -3.449310 1.770706 2.788590
H -5.393930 1.023172 -1.027124
H -5.433544 2.041736 1.273187


