%chk=000110892.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110892

0 1
 O   -4.179500      0.7526000       2.029000    
 O   -1.443100      -1.294800      -1.743600    
 O    6.250400       1.398700     -0.5974000    
 O   0.6548000      -3.934300     -0.3589000    
 O    1.619100       3.111200     -0.3649000    
 O   0.4077000       1.446100      0.3961000    
 N   -2.436900     -0.5382000      0.2446000    
 N   0.8265000      -1.299300     -2.1400001E-02
 N    1.380900     -0.7659000      0.9615000    
 N    1.508600       1.931900      4.5200001E-02
 C  -0.4555000      -1.905600      0.3474000    
 C   -3.545000      0.2104000     -0.2204000    
 C   -1.496100      -1.219300     -0.5186000    
 C   -4.386800      0.8362000      0.6844000    
 C  -0.3541000      -3.400000      0.1011000    
 C    2.603700     -0.2003000      0.5628000    
 C   -3.760400      0.2995000      -1.586300    
 C    2.672600       1.116700      0.1143000    
 C   -5.473800       1.571000      0.2107000    
 C    3.755200     -0.9823000      0.6230000    
 C    3.898900       1.654700     -0.2759000    
 C   -4.847200       1.034300      -2.060100    
 C    5.053400      0.8742000     -0.2167000    
 C   -5.703900       1.670000      -1.161400    
 C   -1.564700      -4.223300      0.4638000    
 C    4.981500     -0.4443000      0.2327000    
 C   -3.356400       1.755300       2.620700    
 C    7.390200      0.5448000     -0.5115000    
 H  -0.6710000      -1.772900       1.415800    
 H   -2.341100     -0.5691000       1.256900    
 H   -3.150000     -0.1608000      -2.348100    
 H   -6.146000       2.068500      0.9047000    
 H    3.708700      -2.010600      0.9725000    
 H    3.990500       2.678500     -0.6312000    
 H   -5.028100       1.112200      -3.128400    
 H   -6.550400       2.242000      -1.530200    
 H   -1.825900      -4.050700       1.510800    
 H   -2.402900      -3.956100     -0.1839000    
 H   -1.340100      -5.285300      0.3304000    
 H    5.838000      -1.105800      0.3040000    
 H   -3.251900       1.528100       3.685100    
 H   -2.360900       1.762100       2.165600    
 H   -3.822000       2.740500       2.517500    
 H    7.593200      0.2475000      0.5229000    
 H    8.254300       1.124100     -0.8529000    
 H    7.298600     -0.3172000      -1.181000    


%chk=000110892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110892

0 1
O -2.623186 1.661355 1.049776
O -2.499001 -2.693693 -1.208187
O 6.077177 1.570766 0.135472
O 0.935214 -4.233237 0.030594
O 2.057697 2.621471 2.857746
O 0.368093 1.529069 1.778527
N -2.301341 -0.685628 -0.008447
N 0.512272 -1.575454 -0.067105
N 1.038208 -0.880061 0.892115
N 1.623924 1.764300 1.992023
C -0.628650 -2.406097 0.415589
C -3.410587 0.053945 -0.500455
C -1.909658 -1.961891 -0.359646
C -3.584713 1.351159 0.078988
C -0.258499 -3.904550 0.245284
C 2.250820 -0.206423 0.555443
C -4.316471 -0.392817 -1.489117
C 2.612482 1.017981 1.191762
C -4.640835 2.187570 -0.329879
C 3.224733 -0.836026 -0.261885
C 3.887829 1.583926 1.043270
C -5.378490 0.449724 -1.894502
C 4.841656 0.934226 0.223804
C -5.541096 1.729460 -1.322733
C -1.370787 -4.912719 0.429233
C 4.502820 -0.278125 -0.437799
C -2.601669 3.005725 1.630004
C 7.107712 0.959781 -0.715611
H -0.796001 -2.237006 1.504704
H -1.733566 -0.163347 0.675046
H -4.178386 -1.383363 -1.925884
H -4.769728 3.178827 0.115039
H 2.955033 -1.789414 -0.727945
H 4.136430 2.523596 1.541597
H -6.076648 0.098834 -2.661379
H -6.365204 2.376293 -1.642122
H -1.998393 -4.666075 1.305865
H -2.033809 -4.867292 -0.454865
H -0.945075 -5.922128 0.536766
H 5.226944 -0.793315 -1.074867
H -1.707338 3.016948 2.268457
H -2.511591 3.773993 0.838453
H -3.512737 3.189310 2.231005
H 7.375122 -0.050916 -0.353348
H 7.976409 1.627435 -0.630224
H 6.775984 0.908882 -1.769864


