%chk=000034137.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034137

0 1
 O   0.5767000     -0.2070000     -0.3729000    
 O    1.752600       1.527000      -1.326600    
 O    4.058200       1.888500      6.4499997E-02
 N   -3.067400      7.7200003E-02 -0.8089000    
 C   -4.209200     -0.7339000     -0.3805000    
 C   -4.217200     -0.8744000       1.147600    
 C   -5.520500     -0.1071000     -0.8726000    
 C   -4.547800      0.4363000       1.862500    
 C   -5.853800       1.205700     -0.1625000    
 C   -5.855100       1.038900       1.354700    
 C   -1.815100     -0.5323000     -0.3887000    
 C  -0.6490000      0.3548000     -0.8260000    
 C   -1.700100      -1.944500     -0.9631000    
 C    1.705100      0.4838000     -0.6936000    
 C    2.910500     -0.2046000     -0.1667000    
 C    4.024000      0.5314000      0.1854000    
 C    2.872900      -1.580100     -4.5899998E-02
 C    5.146200     -0.1344000      0.6784000    
 C    3.995200      -2.245900      0.4470000    
 C    5.131900      -1.523100      0.8090000    
 C    5.262000       2.543500      0.4589000    
 H   -4.178500      -1.727900     -0.8389000    
 H   -3.316200      -1.326700       1.568800    
 H   -5.011000      -1.592300       1.401700    
 H   -6.340000     -0.8173000     -0.7004000    
 H   -5.483200      6.1400000E-02  -1.956100    
 H   -4.628200      0.2535000       2.940300    
 H   -3.730900       1.154500       1.724300    
 H   -5.128300       1.977800     -0.4458000    
 H   -6.836900       1.560700     -0.4925000    
 H   -6.023200       2.010600       1.832500    
 H   -6.691000      0.3916000       1.647500    
 H   -3.084400      0.1798000      -1.823500    
 H   -1.717500     -0.5908000      0.6993000    
 H  -0.6229000      0.4409000      -1.920000    
 H  -0.7615000       1.358800     -0.3970000    
 H   -2.354200      -2.661200     -0.4568000    
 H   -1.917400      -1.966300      -2.037400    
 H  -0.6846000      -2.336300     -0.8374000    
 H    2.008200      -2.170400     -0.3340000    
 H    6.064100      0.3584000      0.9794000    
 H    3.985600      -3.327500      0.5456000    
 H    6.005400      -2.042800       1.191800    
 H    5.112400       3.616000      0.2963000    
 H    5.463400       2.410400       1.527300    
 H    6.109300       2.243600     -0.1672000    


%chk=000034137-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034137

0 1
O 0.561264 -0.236504 -0.073114
O 1.526128 1.880875 -0.047000
O 4.270590 1.832553 -0.106442
N -3.120612 -0.061830 -0.652133
C -4.291248 -0.880129 -0.229671
C -4.428038 -0.893081 1.318857
C -5.583584 -0.311509 -0.870398
C -4.799217 0.498367 1.881060
C -5.965718 1.080358 -0.309088
C -6.096812 1.036547 1.232263
C -1.784974 -0.702258 -0.548672
C -0.761354 0.413748 -0.277907
C -1.405727 -1.551180 -1.787270
C 1.664020 0.639142 0.044153
C 2.919369 -0.130752 0.291149
C 4.214817 0.484286 0.232616
C 2.844383 -1.513266 0.611647
C 5.375923 -0.289481 0.500667
C 3.996438 -2.277666 0.877659
C 5.264513 -1.657267 0.821705
C 5.585229 2.480220 -0.171406
H -4.177492 -1.938442 -0.574658
H -3.485399 -1.250792 1.778042
H -5.212416 -1.630824 1.589179
H -6.409674 -1.021921 -0.666293
H -5.466733 -0.268646 -1.973286
H -4.911521 0.444650 2.981488
H -3.968487 1.196942 1.663337
H -5.187921 1.819282 -0.583387
H -6.915319 1.419521 -0.767336
H -6.331075 2.045390 1.624147
H -6.947407 0.377861 1.508833
H -3.263609 0.350786 -1.584745
H -1.804039 -1.360449 0.340876
H -0.687605 1.121054 -1.125970
H -1.034529 0.983433 0.627220
H -2.167256 -2.331237 -1.971533
H -1.340572 -0.911096 -2.688977
H -0.426169 -2.041610 -1.649908
H 1.853364 -1.971547 0.651308
H 6.366551 0.171196 0.457478
H 3.907397 -3.339617 1.126748
H 6.172002 -2.236280 1.027203
H 5.365403 3.522337 -0.443467
H 6.098693 2.449721 0.808878
H 6.227022 2.017412 -0.946054


