%chk=000039017.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039017

0 1
 Cl   2.800200       4.798200     -0.2703000    
 O  -9.4099998E-02  -4.633600      9.2000002E-03
 N   -3.210300       1.373500      7.9800002E-02
 N   0.3109000      0.2210000     -0.3892000    
 C   -4.056800       1.714900       1.222600    
 C   -3.945000      0.3334000     -0.6397000    
 C   -5.450700       1.754400      0.6139000    
 C   -5.378000      0.8437000     -0.6080000    
 C   -1.881600      0.9376000      0.4831000    
 C   -1.031100      0.6353000     -0.7472000    
 C   0.6926000      -1.081100     -0.1672000    
 C    1.374700       1.076900     -0.2263000    
 C    2.050900      -1.064900      0.1507000    
 C    2.482100      0.2992000      0.1131000    
 C  -5.7599999E-02  -2.261300     -0.2239000    
 C    1.437600       2.469200     -0.3535000    
 C    2.693700      -2.290100      0.4264000    
 C    3.716300      0.9448000      0.3374000    
 C   0.6015000      -3.462100      5.2900001E-02
 C    1.956700      -3.478600      0.3737000    
 C    2.671100       3.085600     -0.1267000    
 C    3.794900       2.336600      0.2138000    
 C   -1.477800      -4.552600     -0.3249000    
 H   -3.783600       2.677300       1.666600    
 H   -4.015800      0.9449000       2.003800    
 H   -3.885300     -0.6374000     -0.1309000    
 H   -3.612800      0.2107000      -1.675000    
 H   -5.710600       2.772800      0.3020000    
 H   -6.210100       1.417300       1.326600    
 H   -6.095800      1.9700000E-02 -0.5422000    
 H   -5.608300       1.418700      -1.512600    
 H   -1.929500      5.6800000E-02   1.137500    
 H   -1.399900       1.734000       1.064700    
 H  -0.9545000       1.513700      -1.398700    
 H   -1.455200     -0.1603000      -1.367800    
 H   -1.109100      -2.196100     -0.4704000    
 H   0.5608000       3.053800     -0.6137000    
 H    3.750200      -2.319300      0.6779000    
 H    4.601600      0.3743000      0.6036000    
 H    2.455000      -4.421200      0.5868000    
 H    4.751700       2.823200      0.3892000    
 H   -2.041800      -3.987300      0.4250000    
 H   -1.872400      -5.574100     -0.3150000    
 H   -1.626700      -4.164500      -1.338300    


%chk=000039017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039017

0 1
Cl 2.713251 4.913769 -0.130493
O 0.137284 -4.822798 -0.074026
N -3.281333 1.361571 0.057395
N 0.293755 0.178576 -0.425807
C -4.075698 1.974747 1.155221
C -4.171868 0.329891 -0.544176
C -5.466056 2.161288 0.510361
C -5.601984 0.943086 -0.462399
C -1.947499 0.884262 0.456297
C -1.069791 0.578369 -0.783365
C 0.741137 -1.139262 -0.200369
C 1.368272 1.059966 -0.203155
C 2.132176 -1.104848 0.151875
C 2.535080 0.294293 0.151605
C 0.010231 -2.345630 -0.291571
C 1.392247 2.468107 -0.295964
C 2.803820 -2.323967 0.413337
C 3.749555 0.968715 0.411962
C 0.716376 -3.542836 -0.026021
C 2.099884 -3.535354 0.323306
C 2.625538 3.088632 -0.027370
C 3.799051 2.377463 0.322091
C -1.279167 -4.913822 -0.426721
H -3.615226 2.923260 1.483783
H -4.147765 1.297933 2.045257
H -4.126747 -0.625898 0.040561
H -3.869807 0.103560 -1.582334
H -5.488383 3.106836 -0.057797
H -6.271542 2.194991 1.264028
H -6.322161 0.197315 -0.082894
H -5.956854 1.271131 -1.453796
H -1.998714 -0.029587 1.104218
H -1.453963 1.676675 1.049337
H -1.035096 1.477642 -1.423835
H -1.523412 -0.227740 -1.387223
H -1.051831 -2.349796 -0.550209
H 0.511043 3.059249 -0.558207
H 3.865023 -2.330473 0.684295
H 4.653570 0.412875 0.682163
H 2.584443 -4.496183 0.518105
H 4.726958 2.920798 0.519475
H -1.913319 -4.381016 0.309372
H -1.513070 -5.988353 -0.406472
H -1.469305 -4.510436 -1.441043


