%chk=000049825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049825

0 1
 O   -5.320300     -0.4345000     -0.3105000    
 O  -0.7456000      0.7761000       1.794100    
 N   -2.766800      0.8007000     -7.5599998E-02
 C    1.187000      -1.168700      7.1599998E-02
 C    1.991000       1.049800      7.8000002E-02
 C    2.466100      -1.631300     -0.2971000    
 C    3.270200      0.5873000     -0.2906000    
 C   0.9252000      0.1806000      0.2536000    
 C   0.2195000      -2.307800      0.1626000    
 C    1.978000       2.543700      0.1771000    
 C    2.456900      -3.116900     -0.4833000    
 C    4.215400       1.734600     -0.4689000    
 C    1.175300      -3.505100      0.2684000    
 C    3.478800       2.849900      0.2878000    
 C    3.526100     -0.7598000     -0.4959000    
 C  -0.4028000      0.6609000      0.5986000    
 C   -1.392900       1.030300     -0.5176000    
 C   -2.972700     -0.6112000      0.2762000    
 C   -3.723700       1.205200      -1.114900    
 C   -4.415800     -0.8290000      0.7219000    
 C   -5.148900      0.9454000     -0.6355000    
 H  -0.4207000      -2.251300       1.046100    
 H  -0.3866000      -2.364800     -0.7470000    
 H    1.552600       2.978000     -0.7335000    
 H    1.436800       2.906600       1.055200    
 H    2.381100      -3.362200      -1.547600    
 H    3.336400      -3.599400     -4.7899999E-02
 H    5.198900       1.539100     -3.2699998E-02
 H    4.316200       1.977400      -1.531700    
 H   0.7307000      -4.429200     -0.1140000    
 H    1.418700      -3.678000       1.326100    
 H    3.773900       2.820500       1.346100    
 H    3.730600       3.846300     -8.8600002E-02
 H    4.503600      -1.113200     -0.8013000    
 H   -1.156600      0.4480000      -1.416600    
 H   -1.234500       2.092200     -0.7396000    
 H   -2.761500      -1.252300     -0.5896000    
 H   -2.335800     -0.9348000       1.102500    
 H   -3.612700       2.272200      -1.339200    
 H   -3.541600      0.6423000      -2.039700    
 H   -4.587200      -1.891100      0.9248000    
 H   -4.644200     -0.2748000       1.640500    
 H   -5.401300       1.561100      0.2364000    
 H   -5.860100       1.190600      -1.430800    


%chk=000049825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049825

0 1
O -5.760178 0.611306 0.059603
O -0.719867 1.152119 1.425430
N -2.877694 0.389052 -0.224750
C 1.402884 -1.289135 -0.295393
C 1.970512 1.023728 0.249007
C 2.759610 -1.523656 -0.648856
C 3.315389 0.777131 -0.133663
C 0.977709 0.001660 0.143527
C 0.614191 -2.595221 -0.435201
C 1.814676 2.479774 0.684884
C 2.968673 -2.970065 -1.076903
C 4.155731 2.039567 0.004811
C 1.721636 -3.691199 -0.488256
C 3.283197 2.945747 0.924463
C 3.719750 -0.493337 -0.591467
C -0.449504 0.342478 0.493177
C -1.573198 -0.269323 -0.372008
C -3.546480 0.092385 1.070343
C -3.789727 0.098729 -1.361513
C -4.847812 0.899006 1.182946
C -5.082779 0.918046 -1.209449
H -0.095094 -2.770173 0.393694
H 0.023542 -2.597782 -1.374252
H 1.338498 3.068531 -0.126848
H 1.174316 2.589602 1.572184
H 2.982068 -3.047150 -2.183694
H 3.921011 -3.395262 -0.712384
H 5.161441 1.846293 0.420289
H 4.302059 2.510821 -0.989053
H 1.415779 -4.574281 -1.075776
H 1.947500 -4.030739 0.539700
H 3.553464 2.762633 1.981198
H 3.425204 4.021848 0.723820
H 4.761056 -0.681684 -0.879525
H -1.626232 -1.364814 -0.141361
H -1.250408 -0.198109 -1.429100
H -3.781852 -1.000164 1.155665
H -2.866084 0.377562 1.889019
H -3.289634 0.378392 -2.308844
H -4.054844 -0.988414 -1.415881
H -5.407692 0.625785 2.092458
H -4.608384 1.983370 1.200717
H -4.838072 2.001315 -1.253005
H -5.807662 0.667029 -2.001858


