%chk=000054981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054981

0 1
 O    4.383900      -2.682400      7.6499999E-02
 O    1.760900      -1.812200      0.3832000    
 O   -5.563500      0.6889000      0.2081000    
 O   -4.344300     -0.3556000      -1.420800    
 N    3.744000      0.8595000     -0.7793000    
 N   -3.434900      0.1265000      0.6866000    
 C    4.120300       2.105800     -0.1041000    
 C    4.250700     -0.2901000     -4.8999999E-02
 C    3.880500      -1.611300     -0.7271000    
 C    3.555500       3.284400     -0.9041000    
 C    3.524600       2.095100       1.307700    
 C    5.648700       2.203200     -3.0600000E-02
 C    2.375300      -1.800500     -0.9017000    
 C   0.4806000      -1.332500      0.4573000    
 C  -0.3731000      -1.450800     -0.6394000    
 C   2.9400000E-02 -0.7275000       1.630400    
 C   -2.129300     -0.3591000      0.6099000    
 C   -1.678000     -0.9641000     -0.5631000    
 C   -1.275500     -0.2409000       1.706700    
 C   -4.429200      0.1037000     -0.2883000    
 C   -6.684200      0.7434000     -0.6823000    
 C   -7.842300       1.416300      2.3300000E-02
 H    4.112300      0.8517000      -1.730200    
 H    5.343300     -0.2909000      2.7400000E-02
 H    3.868700     -0.3423000      0.9753000    
 H    4.370500      -1.679400      -1.705000    
 H    3.803000       4.240700     -0.4293000    
 H    2.463300       3.227100     -0.9806000    
 H    3.960700       3.307500      -1.922600    
 H    2.464000       1.816100       1.299800    
 H    4.053700       1.436200       2.004200    
 H    3.582700       3.098400       1.748400    
 H    6.096500       1.525400      0.7034000    
 H    6.115000       2.017600      -1.005500    
 H    5.947500       3.213600      0.2756000    
 H    1.990100      -1.004300      -1.550300    
 H    2.184500      -2.772300      -1.372200    
 H    3.910800      -2.664300      0.9260000    
 H  -7.1199998E-02  -1.943300      -1.559200    
 H   0.6909000     -0.6318000       2.487100    
 H   -2.283700      -1.097900      -1.448700    
 H   -1.613700      0.2285000       2.627100    
 H   -3.697400      0.5546000       1.571300    
 H   -6.968600     -0.2739000     -0.9732000    
 H   -6.412400       1.315800      -1.576100    
 H   -8.717400       1.474800     -0.6297000    
 H   -7.566700       2.428500      0.3371000    
 H   -8.113700      0.8654000      0.9299000    


%chk=000054981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054981

0 1
O 3.890884 -2.797508 0.298748
O 1.642154 -1.204040 0.409977
O -6.091709 0.303766 0.487388
O -4.688953 0.164047 -1.404538
N 4.638492 0.707974 -0.873572
N -3.901924 -0.136817 0.814584
C 4.841471 2.105024 -0.363423
C 4.506229 -0.394395 0.104496
C 3.796473 -1.603997 -0.554281
C 5.081215 2.990464 -1.610984
C 3.555924 2.581559 0.358150
C 6.062348 2.216218 0.598370
C 2.332797 -1.298789 -0.895534
C 0.262508 -0.934211 0.412882
C -0.514799 -0.718102 -0.749477
C -0.351134 -0.880366 1.688028
C -2.514265 -0.397496 0.630486
C -1.897404 -0.450901 -0.644048
C -1.726140 -0.614521 1.793941
C -4.852860 0.111239 -0.158997
C -7.239533 0.588911 -0.418355
C -8.476029 0.709843 0.466739
H 5.354958 0.485386 -1.580764
H 5.472153 -0.761964 0.516867
H 3.892121 -0.050450 0.955325
H 4.326170 -1.877447 -1.485971
H 5.222440 4.046585 -1.320089
H 4.219721 2.925698 -2.299096
H 5.988177 2.667799 -2.159700
H 2.682829 2.472002 -0.308865
H 3.358145 2.004221 1.279502
H 3.651746 3.644288 0.646277
H 5.929311 1.568554 1.484422
H 6.994913 1.911301 0.086026
H 6.191549 3.255005 0.955635
H 2.270479 -0.336578 -1.438397
H 1.883615 -2.120143 -1.486933
H 3.197463 -2.699068 1.003399
H -0.061040 -0.753261 -1.743895
H 0.259817 -1.047880 2.580136
H -2.498656 -0.283900 -1.540152
H -2.191418 -0.575194 2.786891
H -4.256375 -0.132128 1.773231
H -7.323511 -0.235022 -1.150049
H -7.025901 1.520925 -0.972774
H -9.362234 0.923986 -0.158033
H -8.360599 1.528637 1.197525
H -8.658818 -0.227952 1.018805


