%chk=000044137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044137

1 1
 Cl   4.053200       2.333400       1.872200    
 S  -0.6817000       1.010800      -2.070200    
 N    1.279600      -2.267000     -0.3804000    
 C   0.4396000      -1.049300      0.2738000    
 C   -1.071300      -1.293400     -4.4599999E-02
 C   0.4339000      -3.559800     -0.5109000    
 C   -1.536700      -2.565900      0.7086000    
 C  -0.5205000      -3.704700      0.6550000    
 C    1.064600      0.3335000      4.8500001E-02
 C    1.779600      -1.921700      -1.787500    
 C    2.507500      -2.582300      0.4859000    
 C   -1.993600     -8.7300003E-02  0.1388000    
 C   0.7184000       1.237600     -0.9774000    
 C   -1.938400      0.9749000     -0.7918000    
 C    2.098600      0.7186000      0.9301000    
 C   -2.941000      4.1999999E-03   1.171400    
 C    1.430300       2.441900      -1.131100    
 C   -2.816800       2.064100     -0.6984000    
 C    2.792400       1.919600      0.7770000    
 C   -3.810200       1.095700       1.265200    
 C    2.465500       2.776700     -0.2627000    
 C   -3.753100       2.120500      0.3284000    
 H   0.5260000      -1.227400       1.356400    
 H   -1.167200      -1.551500      -1.108900    
 H    1.123300      -4.408900     -0.5751000    
 H  -0.1182000      -3.507500      -1.457000    
 H   -2.490600      -2.904400      0.2836000    
 H   -1.723500      -2.363400       1.768900    
 H   3.9299998E-02  -3.741900       1.597000    
 H   -1.053400      -4.660100      0.5833000    
 H    2.490300      -1.094100      -1.723600    
 H    2.281900      -2.804300      -2.196400    
 H   0.9201000      -1.658300      -2.407800    
 H    3.011000      -3.460600      7.0000000E-02
 H    3.190600      -1.731400      0.4553000    
 H    2.175400      -2.781100       1.507700    
 H    2.371600      5.9400000E-02   1.753100    
 H   -3.038600     -0.7679000       1.927300    
 H    1.170800       3.145800      -1.919700    
 H   -2.769900       2.883500      -1.411800    
 H   -4.536200       1.139400       2.072300    
 H    2.993600       3.716400     -0.4015000    
 H   -4.429800       2.966300      0.4034000    


%chk=000044137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044137

1 1
Cl 4.054980 2.347183 2.051148
S -0.653151 0.885457 -2.132715
N 1.275767 -2.239346 -0.409738
C 0.423913 -1.068311 0.334421
C -1.082731 -1.312017 -0.008191
C 0.428896 -3.541856 -0.502699
C -1.551459 -2.569315 0.772921
C -0.493155 -3.708885 0.707188
C 1.073391 0.290880 0.096814
C 1.681508 -1.841208 -1.825541
C 2.537483 -2.533022 0.391926
C -1.991397 -0.091354 0.169673
C 0.772465 1.172600 -0.982789
C -1.948788 0.947038 -0.799806
C 2.071790 0.692473 1.028051
C -2.950797 0.023378 1.206299
C 1.513122 2.361883 -1.160481
C -2.832085 2.042052 -0.766605
C 2.792441 1.886053 0.839876
C -3.840651 1.121078 1.257572
C 2.542618 2.723155 -0.264022
C -3.793431 2.125480 0.267388
H 0.569258 -1.321084 1.401729
H -1.129231 -1.534020 -1.094227
H 1.150338 -4.371057 -0.599837
H -0.152688 -3.481843 -1.436998
H -2.515021 -2.907714 0.353563
H -1.734285 -2.317425 1.832434
H 0.101611 -3.760364 1.638393
H -0.988892 -4.691709 0.618704
H 2.437394 -1.044500 -1.783766
H 2.101138 -2.729324 -2.324741
H 0.795315 -1.479350 -2.368803
H 3.146111 -3.265110 -0.161738
H 3.109554 -1.603928 0.521220
H 2.261843 -2.947641 1.373540
H 2.271927 0.083057 1.916562
H -3.029441 -0.749994 1.975844
H 1.260090 3.029153 -1.989585
H -2.763607 2.822660 -1.530121
H -4.574752 1.184866 2.067117
H 3.106871 3.649339 -0.403887
H -4.487862 2.970694 0.300305


