%chk=000046815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046815

0 1
 Cl   4.032500       2.963700      -1.363900    
 O  -7.1300000E-02 -0.3889000      6.2500000E-02
 O  -0.2671000      -2.683300      2.6100000E-02
 N   -3.776000       1.005500     -0.7577000    
 C   -3.793800     -0.4596000     -0.5864000    
 C   -3.308200       1.480800      0.5582000    
 C   -4.388000     -0.6750000      0.8099000    
 C   -4.065500      0.6138000       1.570200    
 C   -2.325400     -0.9222000     -0.6638000    
 C   -1.789800       1.217800      0.5985000    
 C   -1.445100     -0.2662000      0.4104000    
 C   -5.082000       1.548300      -1.123600    
 C   0.3938000      -1.662100     -0.1010000    
 C    1.835700      -1.631300     -0.4797000    
 C    2.761000     -0.5741000     -3.5999998E-02
 C    2.291900      -2.636100      -1.244200    
 C    2.932000      0.5533000     -0.8231000    
 C    3.441700     -0.7273000       1.161300    
 C    3.807300       1.554500     -0.4017000    
 C    4.316800      0.2737000       1.582700    
 C    4.499500       1.414700      0.8013000    
 H   -4.371500     -0.9715000      -1.364300    
 H   -3.489000       2.550300      0.7138000    
 H   -3.980300      -1.558000       1.312800    
 H   -5.475500     -0.8020000      0.7519000    
 H   -4.999400       1.101300       1.874300    
 H   -3.486100      0.4179000       2.478300    
 H   -2.329600      -2.012200     -0.5698000    
 H   -1.921800     -0.7049000      -1.662300    
 H   -1.291000       1.813700     -0.1783000    
 H   -1.369700       1.566800       1.550200    
 H   -1.596400     -0.7761000       1.371100    
 H   -5.019700       2.637100      -1.227000    
 H   -5.875100       1.322000     -0.4036000    
 H   -5.389900       1.157800      -2.099800    
 H    1.644900      -3.436000      -1.590300    
 H    3.332000      -2.686300      -1.553300    
 H    2.390200      0.6617000      -1.760000    
 H    3.307000      -1.610600       1.780000    
 H    4.855400      0.1651000       2.519400    
 H    5.184300       2.186800       1.142600    


%chk=000046815-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046815

0 1
Cl 2.731285 2.853898 -2.119439
O -0.079233 -0.609423 0.323370
O -0.252878 -2.924530 0.105661
N -3.610882 1.460346 -0.392157
C -3.607313 0.100887 -1.025797
C -3.398929 1.112188 1.051280
C -4.495987 -0.793893 -0.082546
C -4.355239 -0.110163 1.321101
C -2.134214 -0.384423 -1.069481
C -1.903972 0.735323 1.223269
C -1.578354 -0.497939 0.365664
C -4.847286 2.236030 -0.647190
C 0.453831 -1.887787 0.187641
C 1.963328 -1.879410 0.199057
C 2.750316 -0.613430 0.098731
C 2.567952 -3.098219 0.317376
C 2.387317 0.415192 -0.813373
C 3.927943 -0.448653 0.878815
C 3.206101 1.550085 -0.930055
C 4.729352 0.704967 0.745884
C 4.377993 1.723944 -0.168849
H -4.006762 0.161299 -2.052869
H -3.634608 1.982233 1.688142
H -4.156628 -1.844881 -0.076801
H -5.547034 -0.790751 -0.421514
H -5.334786 0.239569 1.692144
H -3.941981 -0.793996 2.084067
H -2.057507 -1.360872 -1.581572
H -1.543812 0.361992 -1.631258
H -1.287229 1.588006 0.888863
H -1.669884 0.531566 2.284648
H -1.951340 -1.426052 0.836666
H -4.775248 3.209623 -0.130680
H -5.790678 1.738978 -0.315446
H -4.930258 2.435107 -1.730444
H 1.960650 -4.005376 0.401470
H 3.657599 -3.201914 0.307823
H 1.481705 0.325625 -1.416792
H 4.198460 -1.217818 1.610074
H 5.627916 0.821677 1.360899
H 4.989094 2.623896 -0.280685


