%chk=000041639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041639

0 1
 Cl -0.9497000      -2.658200     -0.1752000    
 O   -1.054600       2.226600     -0.7748000    
 O    2.039600      -2.259800     -0.4020000    
 O   -4.108700     -0.1746000      0.8191000    
 O   -3.700300      -1.451800      -1.052100    
 N    4.073800      3.4899998E-02  0.5214000    
 C    3.429600      0.1674000     -0.7846000    
 C    1.938200      0.1060000     -0.6890000    
 C  -0.8507000     -7.7999998E-03 -0.5095000    
 C  -0.1714000       1.191400     -0.6987000    
 C    3.644700       1.110500       1.414600    
 C    5.529100      4.0700000E-02  0.3765000    
 C    1.215000       1.297800     -0.7936000    
 C    1.293200      -1.118900     -0.4992000    
 C   -2.228900      0.3316000     -0.4695000    
 C  -0.1033000      -1.194000     -0.4069000    
 C   -2.297200       1.695700     -0.6346000    
 C    4.304900      0.9885000       2.777600    
 C    5.998200      -1.108400     -0.4997000    
 C   -3.377200     -0.5116000     -0.2959000    
 C   -3.412800       2.653400     -0.6863000    
 C   -5.280900     -0.9465000       1.101700    
 C   -5.930800     -0.4131000       2.360600    
 H    3.722400     -0.6341000      -1.472300    
 H    3.739200       1.099000      -1.279700    
 H    3.855500       2.102500      0.9950000    
 H    2.567600       1.051600       1.603700    
 H    5.899000      0.9915000     -2.7400000E-02
 H    6.017700     -0.1192000       1.343000    
 H    1.694700       2.258800     -0.9403000    
 H    4.243000     -3.2000002E-02   3.171200    
 H    5.352000       1.306500       2.767100    
 H    3.791200       1.642600       3.491500    
 H    5.531400      -2.056800     -0.2121000    
 H    5.813500     -0.9278000      -1.563000    
 H    7.081700      -1.233200     -0.3909000    
 H   -3.742500       2.908300      0.3256000    
 H   -3.119600       3.578700      -1.192100    
 H   -4.264900       2.232900      -1.229300    
 H    1.435700      -3.011500     -0.2727000    
 H   -5.978000     -0.8679000      0.2605000    
 H   -4.998600      -1.995400       1.243600    
 H   -5.236600     -0.4682000       3.205500    
 H   -6.199200      0.6415000       2.238200    
 H   -6.832400     -0.9811000       2.606200    


%chk=000041639-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041639

0 1
Cl -0.536623 -2.848484 -0.134644
O -1.127826 2.290981 -0.326569
O 2.299337 -2.072050 -0.709849
O -4.411178 -0.211529 0.741935
O -3.380224 -1.811579 -0.604005
N 4.296354 0.311072 0.337216
C 3.532353 0.451266 -0.933960
C 2.030688 0.321152 -0.734321
C -0.806085 -0.009865 -0.316861
C -0.170769 1.257958 -0.453641
C 4.197152 1.520724 1.192528
C 5.691717 -0.148971 0.104000
C 1.197115 1.456319 -0.666240
C 1.442956 -0.976250 -0.595669
C -2.229750 0.277178 -0.101950
C 0.050997 -1.133103 -0.374281
C -2.371182 1.667887 -0.101151
C 4.539804 1.251781 2.670379
C 5.783173 -1.654808 -0.208598
C -3.341811 -0.694276 -0.036400
C -3.521887 2.605177 0.039462
C -5.602245 -1.113341 0.817150
C -6.608786 -0.437948 1.743131
H 3.868145 -0.347840 -1.615726
H 3.746556 1.429564 -1.435042
H 4.835356 2.356320 0.799947
H 3.150888 1.873663 1.143247
H 6.181928 0.439826 -0.714245
H 6.270707 0.054066 1.022440
H 1.610427 2.462701 -0.777389
H 3.897707 0.444655 3.063696
H 5.593423 0.950255 2.810656
H 4.372685 2.164095 3.272976
H 5.361743 -2.238281 0.627548
H 5.215052 -1.924547 -1.115943
H 6.837707 -1.952570 -0.362540
H -3.382655 3.257024 0.922038
H -3.599430 3.262044 -0.846152
H -4.454130 2.040004 0.170019
H 1.785711 -2.913383 -0.569972
H -5.995378 -1.259759 -0.205595
H -5.268525 -2.095062 1.198053
H -6.179174 -0.287107 2.748147
H -6.920747 0.543693 1.346033
H -7.508678 -1.072154 1.841335


