%chk=000002818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002818

0 1
 Cl   5.186000      -3.098000     -0.1688000    
 N   -1.613200     -0.9339000      0.2115000    
 N   -4.285600      -1.892100     -3.9700001E-02
 N   0.6603000     -0.8825000      0.5575000    
 N    1.924700       1.830400      0.1543000    
 C   -2.435600      -1.121500       1.406100    
 C   -1.984000      -1.768400     -0.9308000    
 C   -3.917300     -0.9796000       1.052300    
 C   -3.475400      -1.612700      -1.234000    
 C  -0.4788000     -0.1756000      0.2208000    
 C  -0.5383000       1.154400     -6.0199998E-02
 C   -5.710600      -1.777200     -0.3470000    
 C   0.6573000       2.069400      0.1123000    
 C    2.012200     -0.6481000      0.2869000    
 C   -1.789700       1.802400     -0.4749000    
 C    2.567900      0.6034000      2.6900001E-02
 C   0.3221000       3.529900      0.2466000    
 C    2.854400      -1.784000      0.2246000    
 C   -1.952500       3.130200     -0.4618000    
 C  -0.9003000       3.997000     -2.0700000E-02
 C    3.938700      0.6862000     -0.2975000    
 C    4.206500      -1.686600     -9.8200001E-02
 C    4.751200     -0.4432000     -0.3663000    
 H   -2.179800     -0.3859000       2.178800    
 H   -2.237600      -2.114600       1.828500    
 H   -1.747100      -2.815800     -0.7054000    
 H   -1.406900      -1.491300      -1.821800    
 H   -4.506600      -1.213600       1.947300    
 H   -4.138600      6.0699999E-02  0.7808000    
 H   -3.682300     -0.6070000      -1.619700    
 H   -3.735500      -2.320800      -2.030500    
 H   -5.992700      -2.486900      -1.132600    
 H   -5.983800     -0.7689000     -0.6786000    
 H   -6.314600      -2.026400      0.5325000    
 H   0.4497000      -1.833800      0.8471000    
 H   -2.625400       1.195200     -0.7975000    
 H    1.117700       4.206900      0.5415000    
 H    2.429500      -2.768500      0.4216000    
 H   -2.891500       3.578400     -0.7674000    
 H    4.388800       1.659500     -0.4888000    
 H   -1.117300       5.056000      6.6500001E-02
 H    5.801600     -0.3309000     -0.6194000    


%chk=000002818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002818

0 1
Cl 4.861729 -3.036033 -1.721600
N -1.722188 -0.752557 0.342897
N -4.340915 -1.928436 0.065861
N 0.609283 -0.900305 0.435495
N 2.033044 1.751251 0.736248
C -2.876940 -0.242217 1.128781
C -1.869936 -2.182874 -0.022221
C -4.200676 -0.488717 0.387591
C -3.207079 -2.392546 -0.763370
C -0.495434 -0.086583 0.264557
C -0.413906 1.325031 0.090382
C -5.652506 -2.257064 -0.526613
C 0.743109 2.110528 0.596503
C 1.951156 -0.661787 -0.050658
C -1.566478 2.036858 -0.421423
C 2.599865 0.590757 0.181288
C 0.440292 3.495921 0.937485
C 2.628642 -1.750932 -0.637504
C -1.722062 3.403712 -0.237347
C -0.726497 4.121582 0.523068
C 3.976738 0.674677 -0.183474
C 3.986369 -1.609628 -0.988031
C 4.676227 -0.405125 -0.761622
H -2.736207 0.828009 1.335907
H -2.908874 -0.793024 2.092774
H -1.866186 -2.825381 0.884964
H -1.035031 -2.478231 -0.679794
H -5.039871 -0.187246 1.040988
H -4.236536 0.148796 -0.533173
H -3.160294 -1.856407 -1.746091
H -3.334468 -3.471302 -0.970580
H -5.730867 -3.349075 -0.672736
H -5.831214 -1.761004 -1.513267
H -6.457589 -1.947188 0.162891
H 0.470214 -1.770217 0.955343
H -2.321149 1.462415 -0.973536
H 1.237832 4.047270 1.445744
H 2.108261 -2.699933 -0.805626
H -2.585235 3.932210 -0.654498
H 4.484109 1.622106 0.020240
H -0.875874 5.186656 0.737192
H 5.734741 -0.311766 -1.020238


