%chk=000258302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258302

0 1
Cl -7.253809 0.308133 -0.847319
S 1.469627 0.515478 0.111873
N -3.489140 0.944790 0.412265
N -1.442422 1.997451 0.341517
N -2.709808 -1.420257 0.201891
N -0.228737 -1.552255 0.060747
N -1.594575 -3.480909 -0.104531
C -2.534788 -0.065871 0.281088
C -1.252506 0.609191 0.246943
C -4.948263 0.762153 0.450470
C -2.759505 2.186350 0.429246
C -0.110830 -0.214053 0.137996
C -5.471924 0.386653 -0.939244
C 2.606944 -0.900399 -0.048610
C 3.960294 -0.274884 -0.098397
C -1.519823 -2.109872 0.075038
C 4.679363 -0.051971 1.087272
C 4.522946 0.093679 -1.331355
C 5.948694 0.529512 1.036478
C 5.792735 0.674685 -1.374778
C 6.507987 0.892748 -0.192853
H -5.430002 1.696233 0.822227
H -5.197839 -0.047793 1.182952
H -3.268032 3.136047 0.516796
H -5.196952 1.128679 -1.712172
H -5.094486 -0.607137 -1.262003
H 2.366117 -1.491431 -0.955612
H 2.480409 -1.598621 0.803053
H 4.247012 -0.327091 2.048187
H 3.968549 -0.068018 -2.254759
H 6.502484 0.701812 1.958162
H 6.224967 0.960132 -2.332699
H -2.470994 -3.949049 0.073328
H -0.751726 -4.029746 -0.023374
H 7.496634 1.345932 -0.229526


%chk=000258302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258302

0 1
Cl -7.392014 -0.074258 -0.889900
S 1.432578 0.821130 0.169798
N -3.608058 0.944695 0.414649
N -1.635809 2.131211 0.425829
N -2.713169 -1.345226 0.174558
N -0.248879 -1.361028 0.070492
N -1.492781 -3.340633 -0.039454
C -2.585129 0.001267 0.287334
C -1.369327 0.752903 0.297962
C -5.048109 0.647224 0.437455
C -2.972882 2.205384 0.489921
C -0.176370 -0.009927 0.179546
C -5.538723 0.260592 -0.968289
C 2.587030 -0.704684 -0.009508
C 4.017867 -0.232322 -0.085230
C -1.492911 -1.968882 0.073162
C 4.790379 -0.073223 1.094692
C 4.616267 0.058971 -1.338775
C 6.132005 0.362485 1.023474
C 5.957806 0.494239 -1.412908
C 6.719983 0.647185 -0.231111
H -5.588181 1.536428 0.804368
H -5.233446 -0.187355 1.135413
H -3.543212 3.126064 0.598634
H -5.405066 1.072607 -1.697616
H -5.071003 -0.670737 -1.316659
H 2.256427 -1.232077 -0.916738
H 2.388217 -1.343473 0.864177
H 4.335907 -0.289805 2.068973
H 4.025921 -0.054695 -2.256002
H 6.717261 0.479404 1.942388
H 6.407508 0.713270 -2.387779
H -2.376825 -3.841209 -0.032163
H -0.605659 -3.829771 -0.113244
H 7.761003 0.984545 -0.287149


