%chk=000024432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024432

0 1
 O    6.690300      -1.865700      0.2835000    
 O   -4.837200      -4.904400     -0.2255000    
 O   -1.696700       6.613500     -0.1161000    
 N   0.4062000      -1.392400      1.4000000E-03
 N    1.037600      0.9225000      2.3600001E-02
 N   -1.280800      0.3121000     -7.8699999E-02
 C    1.296300     -0.3917000      3.8600001E-02
 C  -0.8652000     -0.9645000     -5.6899998E-02
 C  -0.2749000       1.200500     -3.6200002E-02
 C    2.690300     -0.7725000      0.1021000    
 C   -1.886800      -1.977600     -0.1004000    
 C  -0.6404000       2.592600     -5.6400001E-02
 C    3.060000      -1.963700      0.7263000    
 C   -1.624000      -3.217900     -0.6901000    
 C   0.2185000       3.538100     -0.6252000    
 C    3.664700      5.1399998E-02 -0.4613000    
 C   -3.149500      -1.729000      0.4470000    
 C   -1.857400       3.009400      0.4921000    
 C    4.404300      -2.331000      0.7874000    
 C   -2.613900      -4.199900     -0.7322000    
 C  -0.1359000       4.887100     -0.6451000    
 C    5.009000     -0.3159000     -0.4004000    
 C   -4.139300      -2.710800      0.4051000    
 C   -2.211800       4.358500      0.4721000    
 C    5.378800      -1.507300      0.2240000    
 C   -3.871500      -3.946400     -0.1845000    
 C   -1.351100       5.297300     -9.6500002E-02
 C    7.634200     -0.9772000     -0.3128000    
 C   -6.100200      -4.578700      0.3531000    
 C   -2.953400       6.963600      0.4620000    
 H    2.325500      -2.622500       1.183100    
 H  -0.6572000      -3.443800      -1.134000    
 H    1.168300       3.249800      -1.069600    
 H    3.406400      0.9811000     -0.9630000    
 H   -3.385900     -0.7793000      0.9218000    
 H   -2.545500       2.302900      0.9509000    
 H    4.686800      -3.259100       1.276900    
 H   -2.400400      -5.159700      -1.194600    
 H   0.5376000       5.613900      -1.091100    
 H    5.713500      0.3689000     -0.8599000    
 H   -5.092800      -2.448500      0.8507000    
 H   -3.168800       4.608500      0.9172000    
 H    7.643400     -3.7000000E-03  0.1892000    
 H    7.474600     -0.8861000      -1.392600    
 H    8.626500      -1.418300     -0.1726000    
 H   -6.582800      -3.749200     -0.1748000    
 H   -6.013800      -4.392100       1.428900    
 H   -6.746700      -5.454000      0.2315000    
 H   -3.787300       6.503100     -7.8500003E-02
 H   -3.065700       8.047900      0.3589000    
 H   -2.979400       6.740100       1.534000    


%chk=000024432-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000024432

0 1
O 6.819285 -2.013778 -0.302244
O -4.867944 -5.108236 0.263133
O -1.635782 6.800537 0.123941
N 0.406672 -1.404825 0.013505
N 1.041352 0.934809 -0.019577
N -1.299903 0.315305 0.087706
C 1.347429 -0.404891 -0.032671
C -0.904946 -1.000355 0.072081
C -0.293904 1.249887 0.042423
C 2.771959 -0.793100 -0.102325
C -1.951947 -2.042975 0.121249
C -0.670345 2.679750 0.062983
C 3.149722 -2.166520 -0.115766
C -1.601808 -3.423678 0.118815
C 0.329152 3.693721 0.023014
C 3.788030 0.195257 -0.157637
C -3.324132 -1.687405 0.172100
C -2.033378 3.067253 0.124134
C 4.499527 -2.537276 -0.182019
C -2.592006 -4.414310 0.166601
C -0.024081 5.049766 0.044017
C 5.148397 -0.162442 -0.224978
C -4.330049 -2.671922 0.219635
C -2.403421 4.426011 0.145927
C 5.506020 -1.536434 -0.237222
C -3.962102 -4.043145 0.217345
C -1.393200 5.422762 0.106029
C 7.903241 -1.027994 -0.363509
C -6.298005 -4.788664 0.316562
C -3.030073 7.249217 0.192803
H 2.361635 -2.923443 -0.073400
H -0.542318 -3.691602 0.079139
H 1.377957 3.387736 -0.024051
H 3.488301 1.247260 -0.146774
H -3.584158 -0.624780 0.173397
H -2.794181 2.281801 0.154647
H 4.805837 -3.587527 -0.193170
H -2.338415 -5.478576 0.166043
H 0.732012 5.839961 0.014473
H 5.911265 0.620575 -0.267133
H -5.380497 -2.368664 0.257915
H -3.462478 4.696207 0.193687
H 7.912636 -0.385921 0.538201
H 7.820901 -0.397342 -1.269572
H 8.827600 -1.621987 -0.406780
H -6.617244 -4.226965 -0.582411
H -6.545528 -4.208495 1.226352
H -6.807625 -5.762603 0.346680
H -3.606169 6.905417 -0.687763
H -2.977043 8.347554 0.196580
H -3.519747 6.894970 1.120288


