%chk=000036688.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036688

0 1
 O   -1.640700      0.5534000      0.4970000    
 O  -0.2303000       1.943600     -0.6927000    
 N   0.5031000      -3.173800     -0.9230000    
 N   -5.225100       1.226600     -5.0200000E-02
 C   0.6656000      0.2416000      0.7610000    
 C    2.039400      0.8155000      0.4454000    
 C    2.495100     -0.5161000      -1.759900    
 C   0.5076000      -1.245800      0.5458000    
 C    2.824400      0.4994000     -0.6840000    
 C    1.062200      -1.017200      -1.895200    
 C   0.6584000      -1.842200     -0.7073000    
 C  -0.4273000       1.025600      9.1899998E-02
 C    2.529700       1.782800       1.355200    
 C    4.077900       1.137300     -0.8353000    
 C   0.1742000      -2.085300       1.616800    
 C    3.764000       2.405100       1.177900    
 C    4.542500       2.079100      8.0200002E-02
 C   8.0000004E-03  -3.450700       1.419000    
 C   -2.777400       1.215200     -6.6900000E-02
 C   0.1808000      -3.941000      0.1398000    
 C   -4.040100      0.5723000      0.4842000    
 C   -6.441600      0.6353000      0.5125000    
 C   -5.250500       1.139500      -1.512300    
 H   0.5048000      0.4176000       1.836100    
 H    2.760900     -6.9899999E-02  -2.728200    
 H    3.163300      -1.376400      -1.614300    
 H    1.003400      -1.647700      -2.792300    
 H   0.3568000     -0.2004000      -2.069200    
 H    1.938500       2.064000       2.225100    
 H    4.709500      0.8942000      -1.688400    
 H   3.7999999E-02  -1.678700       2.615800    
 H    4.111700       3.140600       1.896900    
 H    5.507900       2.553300     -6.7500003E-02
 H  -0.2507000      -4.107100       2.241700    
 H   -2.741600       2.279700      0.1950000    
 H   -2.701900       1.103700      -1.153000    
 H   6.2600002E-02  -4.998400     -7.2200000E-02
 H   -4.031200     -0.5042000      0.2653000    
 H   -4.020100      0.6567000       1.578600    
 H   -7.330200       1.168300      0.1561000    
 H   -6.545000     -0.4241000      0.2511000    
 H   -6.442000      0.7233000       1.604700    
 H   -4.505000       1.794500      -1.973300    
 H   -5.107300      0.1146000      -1.873600    
 H   -6.213700       1.495600      -1.898300    


%chk=000036688-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036688

0 1
O -1.669202 0.672903 0.378474
O -0.371663 1.135284 -1.498560
N 1.041471 -3.438270 -1.222431
N -5.317540 1.449097 -0.000201
C 0.632015 -0.007780 0.502796
C 1.963189 0.756391 0.394997
C 3.077655 -0.622118 -1.561733
C 0.619074 -1.516848 0.235990
C 3.019847 0.507030 -0.530176
C 1.745150 -1.239248 -2.049403
C 1.096198 -2.089959 -0.979657
C -0.473710 0.665958 -0.344868
C 2.098250 1.831594 1.317928
C 4.162226 1.355183 -0.483140
C 0.072636 -2.384477 1.210727
C 3.235950 2.659572 1.348960
C 4.284120 2.416239 0.433544
C 0.016036 -3.773978 0.967168
C -2.864169 1.233773 -0.322241
C 0.508682 -4.252469 -0.265849
C -4.072240 0.865100 0.547316
C -6.377983 1.574466 1.020867
C -5.804476 0.758326 -1.213666
H 0.284105 0.114693 1.543754
H 3.616987 -0.235435 -2.447486
H 3.710397 -1.438582 -1.155364
H 1.948279 -1.899409 -2.909320
H 1.069210 -0.431366 -2.382309
H 1.282898 2.020431 2.028241
H 4.975897 1.168348 -1.195514
H -0.308716 -1.971839 2.151958
H 3.303924 3.477765 2.074012
H 5.180996 3.045528 0.432610
H -0.397906 -4.465452 1.707540
H -2.752366 2.328616 -0.403824
H -2.906230 0.805181 -1.338595
H 0.482280 -5.321212 -0.509110
H -4.125787 -0.247808 0.652589
H -3.907729 1.280365 1.558236
H -7.247321 2.099620 0.586339
H -6.735052 0.590054 1.417472
H -6.009324 2.174287 1.871608
H -5.036875 0.774661 -2.005963
H -6.086354 -0.309047 -1.025290
H -6.694227 1.284235 -1.602425


