%chk=000004452.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004452

0 1
 Cl   4.404300      -3.320200      0.4397000    
 O    1.625200       1.849600      -1.506200    
 O    3.836700       2.497100     -0.1991000    
 N   -3.042500     -0.2409000     -0.6188000    
 N   0.5054000      7.9000004E-02 -0.5107000    
 N    6.558100      -1.252500       1.028800    
 C   -1.741600     -0.7660000      -1.061300    
 C  -0.8187000      0.4562000     -0.9328000    
 C   -1.507400       1.377700      7.5400002E-02
 C   -2.731900      0.6041000      0.5375000    
 C   -3.998600      -1.286000     -0.2726000    
 C   -1.773300      -1.300800      -2.489600    
 C   -5.285000     -0.6820000      0.2185000    
 C    1.633900      0.8190000     -0.8379000    
 C   -5.446000     -0.4207000       1.573100    
 C   -6.296600     -0.3925000     -0.6882000    
 C    2.929900      0.2823000     -0.3486000    
 C   -6.639300      0.1398000       2.028900    
 C   -7.489700      0.1681000     -0.2323000    
 C    3.963800       1.148000     -5.4800000E-02
 C    3.053600      -1.085200     -0.2022000    
 C   -7.661000      0.4342000       1.126200    
 C    5.172400      0.6252000      0.4049000    
 C    4.262300      -1.608100      0.2575000    
 C    5.321800     -0.7529000      0.5609000    
 C    3.361300       3.227400      0.9298000    
 C    7.803100     -0.5999000      0.7738000    
 H   -1.405000      -1.567700     -0.3888000    
 H  -0.7374000      0.9916000      -1.887800    
 H  -0.8683000       1.660900      0.9185000    
 H   -1.819100       2.300000     -0.4310000    
 H   -3.527500       1.311500      0.7899000    
 H   -2.471200      1.2400000E-02   1.424600    
 H   -3.597400      -1.969600      0.4884000    
 H   -4.217700      -1.910000      -1.147900    
 H   -2.401600      -2.193700      -2.567700    
 H   -2.161900     -0.5532000      -3.190200    
 H  -0.7654000      -1.576000      -2.818600    
 H   0.5814000     -0.6987000      0.1370000    
 H   -4.666900     -0.6581000       2.291800    
 H   -6.173300     -0.5936000      -1.748700    
 H   -6.774300      0.3438000       3.087100    
 H   -8.285200      0.3977000     -0.9350000    
 H    2.252400      -1.770700     -0.4634000    
 H   -8.590400      0.8700000       1.481200    
 H    5.977400       1.315400      0.6422000    
 H    6.582000      -2.245300       1.239200    
 H    3.267000       4.278200      0.6427000    
 H    2.379200       2.862100       1.246400    
 H    4.073000       3.153600       1.758100    
 H    7.926600     -0.3675000     -0.2891000    
 H    7.904000      0.3191000       1.359700    
 H    8.628900      -1.257600       1.064500    


%chk=000004452-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004452

0 1
Cl 4.487422 -3.438634 0.585707
O 1.468670 1.609471 -1.643817
O 4.345249 2.509011 -0.410928
N -3.009155 -0.204717 -0.002138
N 0.603878 0.372943 0.132128
N 6.833129 -1.489457 0.438007
C -1.637921 -0.672510 -0.334588
C -0.803277 0.636784 -0.186976
C -1.566132 1.479130 0.892796
C -2.855457 0.671913 1.189424
C -4.031481 -1.257589 0.145337
C -1.513977 -1.314084 -1.722861
C -5.451900 -0.700212 0.206030
C 1.662726 0.850661 -0.638592
C -6.424845 -1.299054 1.042939
C -5.830596 0.397406 -0.607893
C 3.017488 0.356864 -0.218043
C -7.755242 -0.819653 1.061422
C -7.157024 0.881127 -0.588464
C 4.222969 1.130624 -0.227322
C 3.149513 -1.039820 0.054711
C -8.126264 0.272793 0.244552
C 5.477792 0.512139 -0.009456
C 4.390328 -1.628619 0.275815
C 5.608290 -0.878941 0.235429
C 3.214084 3.427717 -0.208475
C 8.106864 -0.777134 0.387718
H -1.272372 -1.404219 0.441203
H -0.793878 1.172299 -1.150982
H -0.951778 1.616261 1.800396
H -1.799818 2.480639 0.495514
H -3.748790 1.304825 1.322123
H -2.730937 0.063677 2.122670
H -3.846758 -1.890024 1.052955
H -3.951294 -1.929936 -0.731077
H -2.008151 -2.300906 -1.776802
H -1.962697 -0.653669 -2.486005
H -0.447898 -1.461198 -1.973916
H 0.819554 -0.134226 0.993163
H -6.141520 -2.143355 1.684619
H -5.067720 0.864534 -1.240968
H -8.497273 -1.293424 1.714410
H -7.436683 1.730889 -1.222109
H 2.259896 -1.676955 0.027518
H -9.155873 0.647976 0.259196
H 6.356759 1.161039 -0.012667
H 6.827206 -2.493039 0.619905
H 3.683247 4.409514 -0.039687
H 2.562356 3.439625 -1.095932
H 2.621602 3.136133 0.680358
H 8.267388 -0.293742 -0.596596
H 8.172198 0.006984 1.168853
H 8.927605 -1.493266 0.554396


