%chk=000001794.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001794

0 1
 Cl  0.8115000       2.073700       1.544100    
 O   -3.690500      -1.811400      0.6330000    
 N    2.331400     -4.0500000E-02 -4.8599999E-02
 N   0.3579000      -1.326800     -0.4862000    
 N   -1.172100      0.5335000      0.9510000    
 N   -1.611200      -2.587800     -0.9070000    
 N   -3.892700      0.4928000      0.6859000    
 N   -5.121300       2.240700     -0.4244000    
 N   -4.196100      0.5344000      -1.622600    
 C    5.263300      0.5218000      -1.075400    
 C    5.602900     -0.1124000      0.2696000    
 C    4.065800       1.466000      -1.048600    
 C    4.427000     -0.4570000       1.178400    
 C    2.731900      0.7404000      -1.225300    
 C    3.229400      -1.079900      0.4659000    
 C   0.9460000     -0.2347000      8.4299996E-02
 C   0.1592000      0.6740000      0.7935000    
 C  -0.9733000      -1.467200     -0.3289000    
 C   -1.724800     -0.5535000      0.3770000    
 C   -3.162000     -0.6862000      0.5590000    
 C   -4.382400       1.080100     -0.3747000    
 H    6.146900       1.076100      -1.416600    
 H    5.100100     -0.2655000      -1.821800    
 H    6.190500      -1.019800      8.0399998E-02
 H    6.269600      0.5614000      0.8231000    
 H    4.066000       2.078500     -0.1395000    
 H    4.172000       2.159900      -1.892300    
 H    4.793500      -1.163200       1.934400    
 H    4.112400      0.4381000       1.730100    
 H    1.974900       1.507800      -1.436000    
 H    2.763500      8.6800002E-02  -2.106300    
 H    3.537900      -1.761100     -0.3359000    
 H    2.691100      -1.686800       1.206000    
 H   -2.573500      -2.498100      -1.208300    
 H   -1.020000      -3.236200      -1.412800    
 H   -5.345100       2.755400      0.4204000    
 H   -5.459700       2.616500      -1.303400    
 H   -3.687000     -0.3285000      -1.775400    
 H   -4.574500      0.9864000      -2.448400    


%chk=000001794-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000001794

0 1
Cl 0.336720 2.510566 -1.494922
O -3.298722 -1.843273 1.289887
N 2.356167 -0.241915 -1.273195
N 0.677566 -1.450687 -0.209351
N -1.156661 0.609315 -0.331371
N -0.892345 -2.848791 0.828069
N -3.787918 0.376775 0.766607
N -4.506891 2.502836 0.138890
N -4.033474 0.953207 -1.557189
C 4.894085 0.915357 -0.003141
C 4.220040 -0.072586 0.989155
C 3.887912 1.733916 -0.853294
C 3.832683 -1.459808 0.409471
C 3.067421 0.912398 -1.876018
C 3.225069 -1.422865 -1.018200
C 1.062609 -0.265434 -0.788131
C 0.052737 0.784205 -0.819233
C -0.584156 -1.638241 0.278409
C -1.564412 -0.570309 0.218828
C -2.951848 -0.718925 0.757875
C -4.057776 1.237051 -0.192814
H 5.506992 1.634347 0.575192
H 5.601964 0.371678 -0.663796
H 4.893121 -0.243183 1.852051
H 3.314527 0.415964 1.401062
H 3.188117 2.261591 -0.176060
H 4.430926 2.516257 -1.421962
H 4.728331 -2.112132 0.368239
H 3.110074 -1.940357 1.093777
H 2.355300 1.567135 -2.395444
H 3.749510 0.493966 -2.641508
H 4.033358 -1.376657 -1.769926
H 2.638860 -2.340373 -1.189076
H -1.855879 -2.935925 1.200746
H -0.181200 -3.576201 0.863361
H -4.496965 2.752005 1.124297
H -5.028587 3.077474 -0.517584
H -3.709123 0.030500 -1.838622
H -3.899634 1.708819 -2.227376


