%chk=000296614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296614

0 1
Cl 4.352259 1.665934 -0.280174
S -1.726927 0.333108 0.201189
O -1.971054 -0.406032 1.417977
O -2.428460 1.574396 -0.065355
O 2.783491 -2.302119 0.061553
O 4.391239 -0.938683 0.542437
N -1.981635 -0.719892 -1.132331
N 3.240530 -1.185437 0.245155
C -2.871395 -1.890663 -0.903863
C -0.020770 0.670984 0.068420
C -4.354739 -1.620953 -1.206875
C 0.911822 -0.352074 0.190611
C 0.396962 1.991889 -0.146341
C -4.997793 -0.637859 -0.236193
C 2.288915 -0.060191 0.100083
C 1.755816 2.290632 -0.245964
C 2.701905 1.264583 -0.123960
H -2.752199 -2.253352 0.146169
H -2.499186 -2.712859 -1.560208
H -2.195898 -0.267892 -2.033338
H -4.474689 -1.256266 -2.246048
H -4.900218 -2.586995 -1.169650
H 0.599943 -1.396450 0.356750
H -0.349884 2.796018 -0.238252
H -4.636601 0.390315 -0.381364
H -6.086549 -0.610622 -0.361028
H -4.798863 -0.905432 0.810681
H 2.083978 3.319214 -0.416681


%chk=000296614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296614

0 1
Cl 4.540696 1.679978 -0.467597
S -1.748102 0.323402 0.254790
O -1.889951 -0.767909 1.455060
O -2.486256 1.781109 0.276147
O 2.891543 -2.349495 0.378568
O 4.469251 -0.847418 1.061240
N -2.126871 -0.570516 -1.357225
N 3.320784 -1.146859 0.570073
C -2.947928 -1.806957 -1.190668
C 0.093904 0.681243 0.048955
C -4.479545 -1.613859 -1.265359
C 1.008142 -0.333872 0.338388
C 0.476604 1.969836 -0.356825
C -5.075137 -0.787274 -0.104396
C 2.385479 -0.040320 0.220952
C 1.853113 2.240809 -0.492602
C 2.812564 1.243818 -0.206760
H -2.662443 -2.261641 -0.221978
H -2.601519 -2.492654 -1.988500
H -2.597708 0.152837 -1.937586
H -4.743602 -1.149962 -2.238523
H -4.937762 -2.622956 -1.271806
H 0.691077 -1.328982 0.664698
H -0.280072 2.738860 -0.541826
H -4.696902 0.252278 -0.093187
H -6.175368 -0.736520 -0.190580
H -4.826508 -1.240113 0.872143
H 2.192520 3.226440 -0.822195


