%chk=000108721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108721

0 1
 Cl   1.428900      -4.141600     -0.2955000    
 S   -1.599500      -2.833900     -0.2942000    
 N   -1.386700      0.1961000     -0.1141000    
 N   -3.762800       1.781600     -0.1045000    
 N    3.325500      0.3666000      1.4300000E-02
 N   0.9818000      0.2775000     -5.1399998E-02
 N    2.299500      -1.738500     -0.1335000    
 C   -1.710600       1.029900       1.050400    
 C   -1.998500      0.6100000      -1.380500    
 C   -3.222300       1.246700       1.151400    
 C   -3.500900      0.8415000      -1.201000    
 C  -0.1571000     -0.4718000     -0.1228000    
 C    3.317400       1.793600      9.5200002E-02
 C   -5.197400       2.036000      2.1800000E-02
 C  -0.1032000      -1.865800     -0.2008000    
 C    2.144000     -0.4028000     -6.1000001E-02
 C    4.763600       2.292600      0.1598000    
 C    2.620100       2.346700      -1.150000    
 C    2.559900       2.212000       1.358600    
 C    1.150600      -2.442400     -0.2025000    
 C   -1.952200      -3.134000       1.460300    
 H   -1.194400       1.994700      0.9652000    
 H   -1.362400      0.5484000       1.972600    
 H   -1.848200     -0.1547000      -2.152000    
 H   -1.512600       1.528400      -1.734000    
 H   -3.711900      0.2984000       1.411500    
 H   -3.413600       1.948700       1.972100    
 H   -3.900100       1.241000      -2.141300    
 H   -4.000800     -0.1189000      -1.016100    
 H   -5.763000       1.124300      0.2460000    
 H   -5.593600       2.468900     -0.9034000    
 H   -5.389600       2.765300      0.8166000    
 H    4.199100     -0.1476000      7.1999999E-03
 H    5.284400       1.885900       1.034800    
 H    4.807600       3.385600      0.2219000    
 H    5.328900       1.984400     -0.7276000    
 H    1.532000       2.246500      -1.150900    
 H    3.000600       1.876300      -2.064800    
 H    2.811200       3.423500      -1.240100    
 H    1.474400       2.104800       1.300200    
 H    2.736000       3.274500       1.568300    
 H    2.904200       1.650000       2.235200    
 H   -2.861600      -3.734100       1.547600    
 H   -2.105200      -2.187200       1.984800    
 H   -1.126600      -3.676900       1.927900    


%chk=000108721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108721

0 1
Cl 1.595088 -4.178107 -1.064568
S -1.473079 -3.167671 -0.515323
N -1.445260 0.124386 -0.337972
N -3.943745 1.583874 -0.251146
N 3.255179 0.394376 0.032701
N 0.887333 0.245561 -0.159100
N 2.349702 -1.657836 -0.557006
C -1.485373 1.528601 0.141740
C -2.530438 -0.155045 -1.316837
C -2.870486 1.835126 0.736969
C -3.902872 0.177432 -0.712280
C -0.218721 -0.541660 -0.377115
C 3.372740 1.837571 0.393324
C -5.275401 1.978817 0.245564
C -0.081309 -1.971918 -0.572698
C 2.118688 -0.333925 -0.219065
C 4.889749 2.117195 0.535572
C 2.775845 2.727495 -0.729212
C 2.661230 2.113670 1.744665
C 1.259883 -2.417446 -0.692868
C -2.031207 -2.881678 1.273586
H -1.277658 2.226164 -0.696873
H -0.698530 1.669299 0.897568
H -2.502427 -1.212904 -1.614605
H -2.368472 0.481542 -2.212974
H -3.011375 1.217762 1.663388
H -2.902619 2.900281 1.033792
H -4.679493 0.033228 -1.486177
H -4.117451 -0.538724 0.123973
H -5.602403 1.399104 1.146120
H -6.027833 1.828318 -0.549117
H -5.270098 3.050860 0.512307
H 4.116092 -0.147770 -0.068343
H 5.338885 1.488931 1.327763
H 5.052760 3.174041 0.807363
H 5.421518 1.924948 -0.415225
H 1.707120 2.497765 -0.869633
H 3.303654 2.553493 -1.684225
H 2.881609 3.794463 -0.460428
H 1.587614 1.877510 1.664928
H 2.771854 3.178227 2.020302
H 3.100094 1.495643 2.548650
H -2.931963 -3.499781 1.415322
H -2.269210 -1.816728 1.419343
H -1.234314 -3.204292 1.959551


