%chk=000030108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030108

0 1
 O  -0.2663000     -0.8575000      -2.256000    
 O    1.192200       2.853200      0.3611000    
 O   0.1426000       1.952900      -1.442800    
 N   -1.449600     -0.7989000     -0.2401000    
 C   -3.615300      0.3199000       1.306500    
 C   -3.688700      0.2233000     -0.2177000    
 C   -2.165400      0.4000000       1.784000    
 C   -2.826000     -0.9231000     -0.7385000    
 C   -1.330100     -0.7454000       1.217100    
 C  -0.2975000     -0.7766000      -1.029200    
 C    1.000700     -0.6587000     -0.3543000    
 C    1.568500      0.5871000     -9.1799997E-02
 C    1.664700      -1.824200      2.5200000E-02
 C    2.803400      0.6674000      0.5519000    
 C    2.899700      -1.743700      0.6687000    
 C    3.469100     -0.4980000      0.9320000    
 C   0.8979000       1.822300     -0.4760000    
 H   -4.169300       1.200400       1.650400    
 H   -4.098200     -0.5589000       1.751300    
 H   -4.727900      8.2699999E-02 -0.5342000    
 H   -3.340200       1.168000     -0.6534000    
 H   -1.734600       1.357500       1.465900    
 H   -2.134600      0.3779000       2.878900    
 H   -3.215200      -1.890900     -0.4023000    
 H   -2.816100     -0.9251000      -1.833100    
 H  -0.3118000     -0.6434000       1.591000    
 H   -1.704000      -1.703300       1.600600    
 H    1.231000      -2.800700     -0.1743000    
 H    3.280200       1.621700      0.7599000    
 H    3.418200      -2.651100      0.9643000    
 H    4.432000     -0.4358000       1.430500    
 H   0.7358000       3.680300      9.6400000E-02


%chk=000030108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030108

0 1
O -0.386425 -0.628189 -2.153480
O 1.847165 3.052277 -0.198965
O -0.269198 2.115785 -0.314716
N -1.474422 -0.893351 -0.100601
C -3.824355 0.251871 1.204656
C -3.725531 0.145496 -0.336501
C -2.414239 0.381433 1.827859
C -2.799946 -1.022357 -0.748832
C -1.504586 -0.787014 1.374023
C -0.357745 -0.662319 -0.880431
C 0.993865 -0.569817 -0.185644
C 1.675484 0.663870 0.036558
C 1.678285 -1.781516 0.077733
C 3.017212 0.661416 0.501771
C 3.006514 -1.777958 0.555865
C 3.681605 -0.552425 0.764876
C 0.968848 1.955383 -0.179827
H -4.450282 1.117684 1.491594
H -4.325392 -0.654714 1.605689
H -4.726390 -0.010935 -0.782463
H -3.316054 1.085988 -0.750740
H -1.953613 1.333527 1.506140
H -2.472960 0.384684 2.933537
H -3.249675 -1.989090 -0.439863
H -2.632573 -1.041772 -1.837999
H -0.476991 -0.653073 1.749101
H -1.894317 -1.741010 1.788785
H 1.166197 -2.731605 -0.109322
H 3.519965 1.619985 0.654782
H 3.515234 -2.727582 0.754929
H 4.714968 -0.545291 1.126839
H 1.314556 3.879917 -0.343352


