%chk=000052588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052588

0 1
 O  -0.9988000     -0.5186000     -0.2855000    
 O   -1.916900      0.4915000      -2.139100    
 N    1.506600      -2.191000     -0.2278000    
 C    1.343800     -0.8259000      0.2968000    
 C   0.3265000     -9.7999997E-02 -0.6076000    
 C   0.3828000       1.411600     -0.4044000    
 C    2.676300     -0.1023000      0.4285000    
 C    1.758400       1.940300     -0.7811000    
 C    2.861100       1.203500     -6.7500003E-02
 C    3.740100     -0.7134000       1.119000    
 C    4.108800       1.834200      7.2600000E-02
 C    2.126000      -2.153300      -1.549600    
 C   0.2140000      -2.868300     -0.2822000    
 C    4.970300     -7.0699997E-02   1.265300    
 C    5.157200       1.200000      0.7348000    
 C   -1.995000      7.3500000E-02 -0.9943000    
 C   -3.233900      0.1556000     -0.1802000    
 C   -4.109900       1.198300     -0.4023000    
 C   -3.471100     -0.8136000      0.7730000    
 C   -5.274100       1.275400      0.3623000    
 C   -4.635400     -0.7366000       1.537400    
 C   -5.536700      0.3080000       1.332000    
 H   0.9305000     -0.8895000       1.313900    
 H   0.4944000     -0.2654000      -1.675300    
 H   0.1559000       1.650100      0.6441000    
 H  -0.3590000       1.958500     -0.9944000    
 H    1.802100       3.008000     -0.5344000    
 H    1.915600       1.841900      -1.862200    
 H    3.617200      -1.705300       1.548200    
 H    4.265100       2.832700     -0.3292000    
 H    3.059700      -1.584200      -1.589000    
 H    1.477000      -1.815800      -2.363000    
 H    2.415400      -3.178400      -1.815900    
 H   0.3995000      -3.944400     -0.3943000    
 H  -0.4152000      -2.593700      -1.135300    
 H  -0.3446000      -2.772300      0.6558000    
 H    5.780700     -0.5649000       1.793200    
 H    6.114700       1.700500      0.8430000    
 H   -3.914500       1.959400      -1.151900    
 H   -2.793000      -1.644300      0.9433000    
 H   -5.975600       2.089100      0.2031000    
 H   -4.841800      -1.491400       2.290500    
 H   -6.443300      0.3676000       1.927000    


%chk=000052588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052588

0 1
O -0.941845 0.214296 0.119149
O -1.781679 1.122918 -1.861671
N 1.227011 -1.892597 -0.095535
C 1.378594 -0.491830 0.362971
C 0.450797 0.545804 -0.321266
C 0.788557 1.984919 0.092184
C 2.855304 -0.037634 0.271251
C 2.190968 2.344377 -0.439040
C 3.231842 1.292537 -0.069209
C 3.864226 -0.982838 0.585027
C 4.607439 1.638235 -0.079481
C 1.417616 -2.122219 -1.537336
C 0.111466 -2.661165 0.482760
C 5.228587 -0.629296 0.570131
C 5.605073 0.693214 0.236028
C -1.978067 0.566616 -0.750570
C -3.317442 0.195153 -0.205828
C -4.461898 0.491286 -0.991294
C -3.468929 -0.439451 1.054861
C -5.747300 0.154528 -0.520586
C -4.757530 -0.774043 1.521993
C -5.897497 -0.478799 0.736738
H 1.098844 -0.493932 1.438420
H 0.486135 0.459117 -1.423633
H 0.764471 2.063282 1.196425
H 0.032665 2.677686 -0.318599
H 2.500375 3.333777 -0.053661
H 2.144267 2.443661 -1.543653
H 3.546281 -2.004168 0.821212
H 4.894016 2.665495 -0.338855
H 2.326211 -1.598879 -1.883371
H 0.557922 -1.788453 -2.168523
H 1.559877 -3.203855 -1.718503
H 0.291908 -3.740891 0.316913
H -0.887608 -2.410313 0.057277
H 0.066577 -2.486220 1.572827
H 5.991919 -1.375539 0.817783
H 6.661873 0.983177 0.223867
H -4.319076 0.980758 -1.960413
H -2.579517 -0.659679 1.651667
H -6.629388 0.383163 -1.128333
H -4.875205 -1.263515 2.494884
H -6.896942 -0.740285 1.102292


