%chk=000045552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045552

0 1
 Cl   6.523400      0.6874000      4.1000001E-02
 N   -1.679100      -2.155200     -8.2199998E-02
 C   -1.460600     -0.9607000     -0.9409000    
 C   -2.183300      0.3049000     -0.4602000    
 C   -3.030400      0.2847000      0.5895000    
 C   -1.940300       1.577500      -1.244500    
 C   -3.367700      -1.004400       1.283700    
 C   -3.722500       1.514800       1.120800    
 C   -3.058500      -2.220400      0.4137000    
 C   -2.958600       2.683200     -0.9631000    
 C   5.3399999E-02 -0.6938000      -1.027500    
 C   -3.195500       2.822700      0.5332000    
 C   0.6183000     -0.3456000      0.3423000    
 C   -1.362500      -3.404000     -0.7849000    
 C    2.101300     -8.6400002E-02  0.2657000    
 C    2.987200      -1.139100      0.4409000    
 C    2.556600       1.201100      2.2399999E-02
 C    4.359500     -0.8990000      0.3711000    
 C    3.928800       1.441300     -4.7600001E-02
 C    4.830400      0.3912000      0.1268000    
 H   -1.841700      -1.169400      -1.950600    
 H  -0.9401000       1.959100      -1.007600    
 H   -1.959300       1.358600      -2.318800    
 H   -2.811400      -1.057900       2.227700    
 H   -4.435500      -1.025300       1.533000    
 H   -4.794100       1.429500      0.9007000    
 H   -3.620600       1.555600       2.211800    
 H   -3.200900      -3.117900       1.028600    
 H   -3.771900      -2.282300     -0.4197000    
 H   -2.598300       3.631100      -1.378400    
 H   -3.905900       2.452700      -1.466900    
 H   0.2561000      0.1177000      -1.738400    
 H   0.5817000      -1.557900      -1.447200    
 H   -3.908100       3.631300      0.7309000    
 H   -2.255600       3.097600       1.028700    
 H   0.4438000      -1.153900       1.063600    
 H   0.1364000      0.5404000      0.7724000    
 H   -1.975600      -3.537600      -1.683500    
 H   -1.529200      -4.265600     -0.1279000    
 H  -0.3090000      -3.452200      -1.074100    
 H    2.630300      -2.147600      0.6294000    
 H    1.862300       2.024900     -0.1167000    
 H    5.050200      -1.727000      0.5084000    
 H    4.281300       2.451500     -0.2390000    


%chk=000045552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045552

0 1
Cl 6.797289 0.385500 0.021781
N -1.687807 -2.118238 -0.130581
C -1.468210 -0.891609 -0.952716
C -2.264108 0.323315 -0.465257
C -3.089898 0.282468 0.619570
C -2.076774 1.595957 -1.286992
C -3.336240 -1.023506 1.354203
C -3.841487 1.501259 1.138864
C -3.051576 -2.221348 0.438187
C -3.176459 2.646702 -1.017345
C 0.058828 -0.565424 -1.014068
C -3.374240 2.829258 0.502924
C 0.659277 -0.214162 0.372906
C -1.309540 -3.353435 -0.846746
C 2.168836 -0.055636 0.319100
C 3.023763 -1.174759 0.500160
C 2.767121 1.202742 0.048418
C 4.428837 -1.053168 0.411242
C 4.169961 1.349726 -0.045014
C 4.979704 0.212865 0.136881
H -1.790703 -1.084093 -2.014382
H -1.084462 2.048214 -1.070074
H -2.055394 1.335907 -2.365876
H -2.696977 -1.087120 2.258531
H -4.388280 -1.063769 1.703947
H -4.928458 1.356441 0.953196
H -3.735637 1.546763 2.243063
H -3.111299 -3.167769 1.008511
H -3.834975 -2.264556 -0.362914
H -2.907352 3.607562 -1.496143
H -4.130703 2.311506 -1.471112
H 0.226281 0.267420 -1.723233
H 0.602597 -1.433109 -1.432983
H -4.107352 3.631340 0.712194
H -2.412648 3.142108 0.957573
H 0.370533 -1.024162 1.067976
H 0.187519 0.715381 0.744986
H -1.937541 -3.541495 -1.754941
H -1.420115 -4.219249 -0.169601
H -0.255149 -3.313955 -1.168887
H 2.586509 -2.155972 0.721556
H 2.129963 2.085306 -0.086981
H 5.079480 -1.920437 0.557044
H 4.621688 2.324834 -0.250368


