%chk=000040802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040802

0 1
 O   0.1737000       2.262600       1.775900    
 O    2.456500      -2.562100     -0.7139000    
 O    4.958900       1.347600      0.4655000    
 O    4.887600      -1.255200     -0.4785000    
 N   -4.457900      -1.641000       1.129800    
 N   -1.010700      0.9234000      0.2993000    
 C   -3.464400      0.5039000      0.3813000    
 C   -3.677200      0.1044000      -1.092300    
 C   -2.307800       1.513400      0.5416000    
 C   -3.905100       1.342000      -1.966900    
 C   -4.848600     -0.8782000      -1.194400    
 C   -3.294900     -0.7488000       1.260900    
 C   -2.519100       2.731700     -0.3663000    
 C   -2.761900       2.344700      -1.825500    
 C   -4.645900      -2.074300     -0.2615000    
 C   -4.316300      -2.799300       2.011800    
 C   0.1349000       1.356300      0.9478000    
 C    1.394000      0.6651000      0.5686000    
 C    2.589700       1.340600      0.6973000    
 C    1.327100     -0.6312000      0.1017000    
 C    2.509300      -1.281300     -0.2525000    
 C    3.772000      0.6904000      0.3431000    
 C    3.731800     -0.6205000     -0.1318000    
 C    2.314500      -2.738200      -2.122000    
 C    5.405800       2.094400     -0.6644000    
 C    5.554000      -1.990500      0.5453000    
 H   -4.377500       1.017700      0.7211000    
 H   -2.779700     -0.4115000      -1.460200    
 H   -2.311400       1.870100       1.579900    
 H   -4.848500       1.828900      -1.688900    
 H   -3.999300       1.045100      -3.018100    
 H   -5.789100     -0.3719000     -0.9404000    
 H   -4.948500      -1.235000      -2.226400    
 H   -2.373500      -1.284000      0.9966000    
 H   -3.197800     -0.4281000       2.305800    
 H   -3.388700       3.296000     -5.4000001E-03
 H   -1.659500       3.410400     -0.3102000    
 H   -2.990300       3.244100      -2.408700    
 H   -1.846000       1.916700      -2.251000    
 H   -3.787700      -2.667000     -0.6051000    
 H   -5.533100      -2.715400     -0.3330000    
 H  -0.9431000      0.2550000     -0.4601000    
 H   -4.228200      -2.479400       3.056100    
 H   -5.204700      -3.438000       1.954100    
 H   -3.438300      -3.405700       1.761400    
 H    2.630400       2.363100       1.062300    
 H   0.3968000      -1.186000      2.9200001E-02
 H    3.160500      -2.291300      -2.653800    
 H    2.296100      -3.810900      -2.333000    
 H    1.375600      -2.296600      -2.470600    
 H    6.367000       2.551700     -0.4144000    
 H    5.544800       1.438500      -1.529600    
 H    4.692200       2.888600     -0.9055000    
 H    6.454500      -2.437000      0.1151000    
 H    4.912500      -2.792900      0.9234000    
 H    5.849600      -1.328400       1.365200    


%chk=000040802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040802

0 1
O 0.079774 2.351961 1.619122
O 2.427776 -2.649498 -0.901256
O 4.942802 1.413393 0.425771
O 4.968680 -1.295246 -0.575236
N -4.642037 -1.659919 1.121423
N -1.146202 0.891328 0.294520
C -3.617685 0.512416 0.451863
C -3.886858 0.200129 -1.047383
C -2.445635 1.508958 0.649691
C -4.106859 1.504888 -1.851627
C -5.085221 -0.769558 -1.161441
C -3.451720 -0.788809 1.265372
C -2.691534 2.805870 -0.171151
C -2.940384 2.503706 -1.666557
C -4.879808 -2.027605 -0.295257
C -4.571615 -2.843152 2.000464
C 0.043788 1.357130 0.823028
C 1.301266 0.635416 0.404183
C 2.527110 1.322409 0.570475
C 1.303659 -0.674397 -0.134873
C 2.517424 -1.310369 -0.481317
C 3.737450 0.705796 0.208926
C 3.754236 -0.632053 -0.285009
C 3.146928 -3.026414 -2.138687
C 5.727133 1.697270 -0.798627
C 5.811018 -1.559675 0.620955
H -4.524183 1.021653 0.840781
H -2.995479 -0.322793 -1.469213
H -2.366555 1.785681 1.718379
H -5.050743 1.977136 -1.506497
H -4.244557 1.264885 -2.924871
H -6.004489 -0.251300 -0.824007
H -5.237203 -1.065934 -2.218125
H -2.517274 -1.323323 0.941313
H -3.323464 -0.543005 2.337014
H -3.577555 3.319068 0.255028
H -1.828112 3.481401 -0.036578
H -3.155317 3.444161 -2.209103
H -2.016938 2.085482 -2.116993
H -4.021665 -2.625875 -0.708474
H -5.777662 -2.672524 -0.340398
H -1.130841 0.164242 -0.421065
H -4.459268 -2.520447 3.050975
H -5.507700 -3.424401 1.918781
H -3.717621 -3.525674 1.756098
H 2.528014 2.333389 0.986983
H 0.389129 -1.266556 -0.247571
H 4.229044 -2.845566 -2.037003
H 2.939389 -4.099240 -2.270297
H 2.745572 -2.457975 -3.000087
H 6.631126 2.219548 -0.450490
H 5.996682 0.762328 -1.321993
H 5.148930 2.356357 -1.473473
H 6.719953 -2.046357 0.235867
H 5.278580 -2.238265 1.311925
H 6.061821 -0.613372 1.131423


