%chk=000077453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077453

0 1
 O    4.161300      1.8000000E-03  9.9999997E-05
 O   -3.113300       2.723500      -2.112700    
 O   -3.111400      -2.724500       2.112800    
 O   -3.762000       2.880100     -2.1400001E-02
 O   -3.759600      -2.882700      2.1400001E-02
 N    2.163200      0.8799000      0.8139000    
 N    2.164200     -0.8787000     -0.8141000    
 N   -2.889300       2.613800     -0.8829000    
 N   -2.887300      -2.615300      0.8829000    
 C    2.925400      1.2000001E-03 -1.9999999E-04
 C    2.703600       1.332900       2.102200    
 C    2.704700      -1.332300      -2.102200    
 C   0.8597000       1.327300      0.3761000    
 C   0.8609000      -1.326800     -0.3763000    
 C    3.502100       2.611100       1.950400    
 C    3.504100      -2.609800      -1.949500    
 C   0.6337000       1.440900     -0.9704000    
 C   0.6349000      -1.439700      0.9703000    
 C  -8.0200002E-02   1.613700       1.331300    
 C  -7.8500003E-02  -1.614500      -1.331400    
 C  -0.6238000       1.872500      -1.392700    
 C  -0.6223000      -1.872100       1.392600    
 C   -1.337600       2.045200      0.9089000    
 C   -1.335700      -2.046600     -0.9090000    
 C   -1.609400       2.174600     -0.4530000    
 C   -1.607600      -2.175500      0.4530000    
 H    1.948200       1.435800       2.880500    
 H    3.386600      0.5511000       2.458500    
 H    1.949500      -1.436200      -2.880600    
 H    3.387400     -0.5502000      -2.458800    
 H    4.317900       2.491600       1.230300    
 H    2.866400       3.430800       1.599700    
 H    3.937600       2.904800       2.910500    
 H    4.319800      -2.489300      -1.229400    
 H    2.868900      -3.429700      -1.598500    
 H    3.940000      -2.903900      -2.909400    
 H    1.396300       1.299200      -1.729000    
 H    1.397400      -1.297300       1.728900    
 H   6.3199997E-02   1.494800       2.397000    
 H   6.4800002E-02  -1.496100      -2.397200    
 H  -0.7946000       1.978600      -2.461000    
 H  -0.7932000      -1.977800       2.461000    
 H   -2.084400       2.262900       1.668300    
 H   -2.082200      -2.265200      -1.668300    


%chk=000077453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077453

0 1
O 4.109289 0.001174 0.000336
O -3.111949 3.494044 -1.913782
O -3.109738 -3.497071 1.913297
O -3.678458 3.665799 0.292308
O -3.676022 -3.668615 -0.292861
N 2.102240 0.893198 0.816810
N 2.102858 -0.892036 -0.816368
N -2.871195 3.316045 -0.655331
N -2.869220 -3.318211 0.654925
C 2.841828 0.000791 0.000269
C 2.858202 1.502321 1.957119
C 2.859264 -1.500582 -1.956692
C 0.847459 1.465403 0.439131
C 0.848391 -1.465063 -0.438864
C 3.454460 2.878252 1.605282
C 3.456297 -2.876204 -1.604961
C 0.541820 1.723413 -0.928488
C 0.542837 -1.723622 0.928672
C -0.096843 1.836491 1.437241
C -0.095628 -1.836475 -1.437119
C -0.674768 2.321231 -1.290285
C -0.673412 -2.322265 1.290248
C -1.314772 2.440894 1.084895
C -1.313216 -2.441696 -1.084995
C -1.595235 2.676336 -0.278649
C -1.593618 -2.677647 0.278473
H 2.181671 1.578740 2.826094
H 3.667266 0.800588 2.215420
H 2.182844 -1.577288 -2.825729
H 3.667934 -0.798339 -2.214836
H 4.167570 2.780122 0.769953
H 2.668355 3.601041 1.323261
H 3.996086 3.286280 2.477800
H 4.169242 -2.777760 -0.769528
H 2.670588 -3.599500 -1.323136
H 3.998276 -3.283792 -2.477465
H 1.272948 1.472560 -1.701773
H 1.273771 -1.472546 1.702065
H 0.109895 1.635062 2.492059
H 0.111058 -1.634661 -2.491874
H -0.917775 2.537160 -2.333943
H -0.916344 -2.538612 2.333836
H -2.053312 2.721254 1.840365
H -2.051544 -2.722313 -1.840577


