%chk=000055756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055756

0 1
 O   -5.581300       2.135000      0.3292000    
 O   -6.631700      0.1238000      0.5666000    
 N    1.135300       2.964500     -0.7454000    
 N   -1.693700     -0.8800000     -0.1988000    
 C    2.121700       4.016900     -0.9875000    
 C    1.069500       2.833100      0.7098000    
 C    1.774900       5.057300      6.7199998E-02
 C    1.086600       4.278900       1.184100    
 C    1.485600       1.713200      -1.401000    
 C   0.4537000      0.6515000      -1.134100    
 C   0.6359000     -0.5624000     -0.5680000    
 C    2.013900     -0.9251000     -0.1450000    
 C  -0.5094000      -1.481100     -0.3818000    
 C    2.839100      -1.567400      -1.044300    
 C    2.422800     -0.6078000       1.133500    
 C  -0.2879000      -2.835700     -0.4085000    
 C    4.132100      -1.908100     -0.6472000    
 C    3.715900     -0.9483000       1.530600    
 C    4.570500      -1.598600      0.6403000    
 C   -2.745400      -1.712100     -2.8100001E-02
 C   -1.394000      -3.659000     -0.2294000    
 C   -2.649800      -3.094300     -3.5000000E-02
 C    5.953200      -1.962100       1.065000    
 C   -4.036700      -1.074300      0.1718000    
 C   -4.257700      0.2592000      0.1757000    
 C   -5.623100      0.7831000      0.3802000    
 H    2.047400       4.428100      -1.999000    
 H    3.147500       3.659500     -0.8297000    
 H    1.949000       2.315600       1.111700    
 H   0.1665000       2.320400       1.056000    
 H    1.087800       5.809100     -0.3386000    
 H    2.668200       5.578100      0.4267000    
 H    1.616000       4.383000       2.136600    
 H   6.6399999E-02   4.655400       1.323400    
 H    2.496600       1.398800      -1.121200    
 H    1.506600       1.874800      -2.486300    
 H  -0.5449000      0.9287000      -1.473900    
 H    2.509400      -1.811100      -2.050400    
 H    1.763500     -0.1081000       1.837400    
 H   0.6822000      -3.290500     -0.5658000    
 H    4.789300      -2.412300      -1.350700    
 H    4.045900     -0.7012000       2.536100    
 H   -1.278200      -4.738600     -0.2430000    
 H   -3.514800      -3.734600      0.1046000    
 H    6.300300      -2.864700      0.5505000    
 H    6.642900      -1.142800      0.8396000    
 H    5.994500      -2.170500       2.139500    
 H   -4.876300      -1.749600      0.3229000    
 H   -3.458100      0.9777000      2.7200000E-02
 H   -6.467400       2.535100      0.4605000    


%chk=000055756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055756

0 1
O -5.528350 2.334103 0.284860
O -6.651972 0.305243 0.485124
N 1.085210 3.098037 -0.737775
N -1.608303 -0.874141 -0.056095
C 1.938656 4.246202 -1.137747
C 0.833581 3.291014 0.714207
C 1.342879 5.450207 -0.354736
C 0.518120 4.802558 0.811394
C 1.622569 1.774184 -1.114785
C 0.595075 0.693491 -0.871696
C 0.804494 -0.572749 -0.390345
C 2.167072 -1.111985 -0.080455
C -0.379290 -1.465930 -0.175719
C 3.218071 -1.058898 -1.034081
C 2.454348 -1.686606 1.188481
C -0.236431 -2.886729 -0.126826
C 4.504601 -1.555016 -0.730745
C 3.742825 -2.173093 1.491814
C 4.794399 -2.115331 0.539382
C -2.719376 -1.659959 0.110739
C -1.378781 -3.692445 0.049289
C -2.642921 -3.079091 0.173741
C 6.187137 -2.617029 0.878572
C -4.026858 -0.996581 0.235080
C -4.215717 0.355927 0.206709
C -5.568037 0.927638 0.339519
H 1.913142 4.385364 -2.233845
H 3.007293 4.087514 -0.837664
H 1.740197 3.039130 1.324403
H 0.006161 2.646390 1.057449
H 0.685232 6.055278 -1.001538
H 2.143124 6.111586 0.021063
H 0.787274 5.212746 1.800364
H -0.560738 4.971607 0.655190
H 2.581703 1.538663 -0.587373
H 1.861166 1.816487 -2.199272
H -0.441282 0.989081 -1.081139
H 3.013491 -0.651018 -2.030648
H 1.663540 -1.737841 1.946164
H 0.752831 -3.337304 -0.241373
H 5.293188 -1.510375 -1.492055
H 3.937624 -2.603061 2.482150
H -1.284961 -4.782843 0.082537
H -3.551829 -3.672739 0.315263
H 6.724505 -2.962293 -0.022173
H 6.797293 -1.814473 1.337311
H 6.152886 -3.453362 1.599019
H -4.906660 -1.642894 0.359662
H -3.371355 1.039800 0.086411
H -6.456524 2.682036 0.376187


