%chk=000020868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020868

0 1
 Cl   5.426700      -1.186500      0.4028000    
 N   -1.040500      0.4917000      0.2283000    
 N   -3.195900      0.1807000      0.7983000    
 N   -2.701100       1.940900     -0.7073000    
 N   -4.674500      -1.620100      0.8995000    
 N   -3.471600      -1.363300      -1.024700    
 C    1.356500      0.6067000     -0.2754000    
 C  -2.7999999E-03   1.206700     -0.5028000    
 C    2.141200       1.064500      0.7753000    
 C    1.812700     -0.3980000      -1.119400    
 C    3.403000      0.5086000      0.9856000    
 C    3.074500     -0.9542000     -0.9091000    
 C    3.869700     -0.5009000      0.1436000    
 C   -2.262200      0.8923000      7.1500003E-02
 C   -3.735500     -0.8692000      0.2336000    
 H   2.1900000E-02   2.261700     -0.1986000    
 H  -0.2124000       1.196100      -1.581000    
 H    1.786600       1.848800       1.438400    
 H    1.200500     -0.7599000      -1.940800    
 H    4.011600      0.8713000       1.810000    
 H    3.424900      -1.740400      -1.573000    
 H   -2.069300       2.512800      -1.256100    
 H   -3.687100       2.175400     -0.7513000    
 H   -5.100200      -2.435800      0.4733000    
 H   -4.969700      -1.377000       1.838900    
 H   -2.799200     -0.9234000      -1.643400    
 H   -3.944700      -2.190000      -1.373300    


%chk=000020868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020868

0 1
Cl 5.252057 -1.469821 0.455172
N -1.292043 0.448671 -0.443020
N -3.644864 0.455573 0.095139
N -2.740233 2.323636 -0.914914
N -4.809292 -1.317442 1.040388
N -2.489547 -1.589174 0.577462
C 1.178786 0.472705 -0.667828
C -0.140132 1.156365 -1.017851
C 1.324929 -0.249641 0.541865
C 2.297769 0.588975 -1.528816
C 2.559037 -0.841976 0.892861
C 3.541562 0.004523 -1.197618
C 3.649933 -0.703125 0.014100
C -2.491096 1.044140 -0.423007
C -3.614141 -0.806121 0.560646
H -0.078438 2.209929 -0.643752
H -0.219000 1.227275 -2.127279
H 0.459688 -0.344542 1.205608
H 2.203902 1.135648 -2.475486
H 2.669685 -1.397305 1.829046
H 4.401374 0.092946 -1.867989
H -2.017854 2.893081 -1.343000
H -3.689436 2.677351 -0.828306
H -4.881635 -2.238721 1.460730
H -5.619131 -0.704310 1.005283
H -1.649888 -1.065327 0.171850
H -2.498891 -2.563815 0.871615


