%chk=000114030.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114030

0 1
 Cl  -1.043900       3.464400      0.4252000    
 S   -3.733900       2.271300      0.7692000    
 N   0.3207000     -0.1281000     -0.2437000    
 N    3.667800       1.419500      0.1974000    
 N  -0.8096000      -2.176200     -0.6952000    
 C    1.358700      0.6255000      0.4182000    
 C    2.613300      0.6363000     -0.4458000    
 C  -0.6183000      0.5856000      -1.110900    
 C   0.1920000      -1.512100     -6.0699999E-02
 C   -1.918100      0.9761000     -0.4780000    
 C    3.215400       2.790300      0.4318000    
 C    4.879800       1.414100     -0.6208000    
 C    1.110200      -2.144100      0.7739000    
 C   -3.060100      0.1374000     -0.4926000    
 C   -2.133600       2.163400      0.1694000    
 C   -4.126400      0.7220000      0.1547000    
 C   0.9958000      -3.516500      0.9654000    
 C  -0.8894000      -3.509300     -0.4849000    
 C  -2.0300001E-02  -4.219600      0.3275000    
 H   0.9861000       1.642800      0.5380000    
 H    1.551000      0.3045000       1.448300    
 H    2.967500     -0.3910000     -0.5947000    
 H    2.381800       1.033900      -1.443600    
 H  -0.8193000     -8.8999998E-03  -2.013500    
 H  -0.1295000       1.484800      -1.510600    
 H    2.504700       2.850600       1.261900    
 H    2.774800       3.248200     -0.4614000    
 H    4.057400       3.421200      0.7430000    
 H    5.689900       1.950600     -0.1141000    
 H    4.719700       1.877000      -1.601400    
 H    5.235300      0.3894000     -0.7768000    
 H    1.931200      -1.653800       1.280800    
 H   -3.123200     -0.8376000     -0.9571000    
 H   -5.117900      0.3146000      0.2933000    
 H    1.699200      -4.039200       1.606700    
 H   -1.699000      -4.010600      -1.004900    
 H  -0.1280000      -5.289800      0.4613000    


%chk=000114030-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114030

0 1
Cl -1.064181 3.726202 -1.059227
S -3.539094 2.835539 0.594539
N 0.228970 -0.288565 -0.364307
N 3.477257 1.596595 0.334997
N -0.800264 -2.353435 -0.854004
C 1.182587 0.569721 0.357996
C 2.516238 0.753825 -0.411054
C -0.739079 0.382704 -1.261762
C 0.212678 -1.673914 -0.214089
C -1.877515 1.045721 -0.507497
C 3.097538 3.026221 0.366658
C 4.864972 1.417796 -0.142811
C 1.196251 -2.370705 0.565226
C -2.909413 0.295231 0.185783
C -2.080217 2.408568 -0.375057
C -3.858158 1.074972 0.816424
C 1.106163 -3.768191 0.674786
C -0.851088 -3.708372 -0.739820
C 0.066841 -4.470297 0.012503
H 0.693380 1.546913 0.517419
H 1.398063 0.160981 1.360881
H 2.974875 -0.241625 -0.559514
H 2.296129 1.163902 -1.431615
H -1.148225 -0.390034 -1.932939
H -0.198052 1.134925 -1.864708
H 2.106016 3.158662 0.830927
H 3.067294 3.490770 -0.652062
H 3.829198 3.584396 0.977170
H 5.555443 1.989868 0.502801
H 5.019285 1.759113 -1.198102
H 5.146596 0.351529 -0.083177
H 2.009074 -1.835155 1.061762
H -2.916203 -0.797629 0.186926
H -4.730134 0.772663 1.393250
H 1.849932 -4.310992 1.268931
H -1.675041 -4.193421 -1.277486
H -0.026315 -5.557781 0.075555


