%chk=000227482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227482

0 1
Cl -0.275257 3.619603 0.001182
S -2.316905 -1.256194 -0.000250
N 2.633100 -0.598584 -0.000443
N 2.335546 -1.938342 -0.000908
N 1.320383 1.538194 0.000411
N -1.102791 1.122320 0.000479
C 0.369866 -0.776518 -0.000243
C 1.472620 0.165948 -0.000057
C -0.922540 -0.213069 0.000133
C 0.988884 -2.071458 -0.000812
C 4.021571 -0.119872 -0.000095
C -3.744696 -0.115366 0.000052
C 0.029068 1.930136 0.000594
C -4.971422 -0.997752 -0.000266
H 0.494777 -3.032702 -0.001112
H 4.559321 -0.484483 0.895833
H 4.559995 -0.485289 -0.895292
H 4.039331 0.988064 -0.000577
H -3.698700 0.547451 0.887300
H -3.698637 0.548005 -0.886780
H -5.027631 -1.645124 -0.887070
H -5.027679 -1.645697 0.886115
H -5.886006 -0.385070 -0.000093


%chk=000227482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227482

0 1
Cl -0.321973 3.616712 0.001574
S -2.334249 -1.406605 -0.000407
N 2.665521 -0.575806 -0.000296
N 2.439109 -1.961471 -0.000724
N 1.315048 1.483044 0.000189
N -1.086786 1.037343 0.000169
C 0.419615 -0.848280 -0.000424
C 1.478770 0.125294 -0.000177
C -0.901642 -0.311659 -0.000173
C 1.086288 -2.117117 -0.000896
C 4.026448 -0.041188 0.000058
C -3.757849 -0.139963 0.000054
C 0.018029 1.833034 0.000116
C -5.089054 -0.901905 -0.000133
H 0.665978 -3.120686 -0.001219
H 4.567770 -0.380159 0.898630
H 4.568394 -0.380760 -0.897901
H 3.957568 1.057658 -0.000307
H -3.625185 0.488749 0.893419
H -3.625257 0.489313 -0.892923
H -5.196733 -1.538248 -0.896032
H -5.196663 -1.538812 0.895374
H -5.920948 -0.174287 0.000129


