%chk=000019247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019247

0 1
 O  -0.1606000      -1.067600     -7.6399997E-02
 O    1.613000       1.182900      0.2987000    
 O   0.6665000      -1.466300      -2.187400    
 N   -3.842100      -1.128600      0.1404000    
 N    4.134900       1.484400       1.480400    
 C   -2.464300      -1.009000      0.5936000    
 C   -4.733600      -1.425900       1.264200    
 C   -4.273200      9.7300000E-02 -0.5359000    
 C   -1.499100      -1.210600     -0.5636000    
 C   -4.731600     -0.2963000       2.280300    
 C   -5.687200     -4.1000001E-02  -1.074200    
 C   0.6115000       3.190300     -0.5382000    
 C    1.656400       2.109700     -0.7775000    
 C  -0.7935000       2.603200     -0.4375000    
 C    2.505900      0.1437000      0.2563000    
 C    2.155300      -1.051500     -0.3718000    
 C   0.8467000      -1.218300     -0.9890000    
 C    3.765000      0.2810000      0.8410000    
 C    3.063500      -2.109300     -0.4150000    
 C   -1.828600       3.680500     -0.1556000    
 C    4.673100     -0.7769000      0.7976000    
 C    4.322400      -1.972000      0.1696000    
 H   -2.227800      -1.778200       1.341700    
 H   -2.252800     -4.8300002E-02   1.079900    
 H   -5.753600      -1.648400      0.9336000    
 H   -4.400500      -2.349900       1.754700    
 H   -4.179800       1.001300      7.5900003E-02
 H   -3.638000      0.2701000      -1.411900    
 H   -1.619300      -2.214600     -0.9883000    
 H   -1.650100     -0.4697000      -1.354700    
 H   -5.342000     -0.6013000       3.139100    
 H   -5.185100      0.6255000       1.905600    
 H   -3.740500     -6.9100000E-02   2.682400    
 H   -5.896400      0.7807000      -1.768600    
 H   -6.444900      1.4400000E-02 -0.2870000    
 H   -5.820000     -0.9762000      -1.629200    
 H   0.6552000       3.926700      -1.348600    
 H   0.8449000       3.712900      0.3976000    
 H    2.649200       2.570400     -0.8377000    
 H    1.455300       1.596400      -1.725300    
 H  -0.8405000       1.861400      0.3667000    
 H   -1.050900       2.089400      -1.370800    
 H    2.802300      -3.046400     -0.9000000    
 H   -1.840200       4.431100     -0.9522000    
 H   -2.827700       3.238800     -9.0999998E-02
 H   -1.619800       4.187300      0.7920000    
 H    5.657500     -0.6832000       1.249300    
 H    5.029400      -2.795700      0.1363000    
 H    3.476400       2.250200       1.533600    
 H    5.048600       1.573200       1.904500    


%chk=000019247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019247

0 1
O -0.159094 -0.929878 -0.228337
O 1.693647 1.218500 0.289369
O 0.705225 -2.570368 -1.630417
N -3.885160 -1.068606 0.092407
N 4.122102 1.602416 1.286667
C -2.478982 -0.780576 0.462452
C -4.761934 -1.416171 1.238464
C -4.442021 -0.077608 -0.862440
C -1.530662 -1.416294 -0.564567
C -5.078859 -0.266829 2.234873
C -5.731002 -0.554786 -1.556799
C 0.531037 3.134249 -0.658687
C 1.102742 1.748750 -0.971210
C -0.648386 3.108566 0.339689
C 2.559067 0.105564 0.189414
C 2.245252 -1.163785 -0.367929
C 0.899406 -1.616332 -0.834195
C 3.865691 0.353416 0.732880
C 3.264666 -2.159280 -0.446437
C -1.174631 4.521108 0.669664
C 4.848258 -0.669148 0.671220
C 4.548088 -1.909574 0.068935
H -2.261909 -1.212595 1.455847
H -2.264570 0.310869 0.536304
H -5.708143 -1.824241 0.838007
H -4.275597 -2.247514 1.783396
H -4.625098 0.914108 -0.375561
H -3.672476 0.099023 -1.638061
H -1.554544 -2.517683 -0.516915
H -1.770499 -1.111872 -1.600155
H -5.707749 -0.644385 3.062699
H -5.627767 0.558906 1.746237
H -4.154473 0.149955 2.675882
H -6.033118 0.168112 -2.336744
H -6.574353 -0.650376 -0.849442
H -5.565774 -1.537651 -2.032322
H 0.197998 3.588045 -1.615364
H 1.341249 3.780770 -0.265247
H 1.902177 1.802691 -1.737230
H 0.308154 1.061512 -1.312020
H -0.323028 2.595414 1.263924
H -1.468798 2.495170 -0.086613
H 3.008339 -3.120205 -0.901026
H -1.522829 5.042724 -0.242428
H -2.021454 4.479957 1.378994
H -0.382265 5.142887 1.128149
H 5.849321 -0.477797 1.076515
H 5.319080 -2.685257 0.012341
H 3.358229 2.272487 1.329345
H 5.024747 1.822106 1.694076


