%chk=000211672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211672

0 1
Cl -4.180639 -3.133672 -0.926193
S 0.950012 3.510877 0.223454
S -1.707965 2.987127 -0.810486
N 2.125009 1.081772 0.390054
N -0.289842 1.130398 0.462042
C 3.312777 0.198068 0.627853
C 0.935214 0.686746 1.199544
C 3.084618 -1.154691 -0.066109
C 2.446049 2.513147 0.577941
C 4.316400 -2.058521 0.072722
C -1.251552 0.101936 0.099200
C -0.387209 2.387868 -0.047656
C 4.096994 -3.408526 -0.605000
C -2.553213 0.163275 0.623814
C -0.854911 -0.939888 -0.756353
C -3.464982 -0.843738 0.299934
C -1.766912 -1.947333 -1.074459
C -3.056221 -1.884890 -0.537881
H 3.533087 0.054150 1.707024
H 4.207876 0.690286 0.183791
H 0.902982 1.148121 2.218984
H 0.907170 -0.423547 1.327715
H 2.853012 -0.985087 -1.138187
H 2.193695 -1.661861 0.352200
H 2.810656 2.790819 1.589123
H 3.220126 2.808516 -0.167683
H 4.557142 -2.213741 1.142862
H 5.202890 -1.561314 -0.369245
H 4.982668 -4.047808 -0.509511
H 3.253202 -3.952837 -0.165631
H 3.891627 -3.295730 -1.676263
H -2.855319 0.996474 1.262222
H 0.150035 -0.948957 -1.182672
H -4.483362 -0.812198 0.689852
H -1.481814 -2.762940 -1.739503


%chk=000211672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211672

0 1
Cl -4.417762 -3.286352 0.124778
S 1.919615 2.607073 -1.093389
S -0.337789 1.444535 -2.671963
N 2.079468 1.202849 1.393745
N 0.043188 0.837465 -0.015406
C 2.878447 -0.047636 1.338148
C 0.639434 1.123795 1.367333
C 3.040125 -0.732364 -0.043892
C 2.588117 2.387969 0.769953
C 3.986827 -1.952112 0.040869
C -1.043750 -0.118360 -0.039116
C 0.436372 1.520039 -1.155973
C 4.154924 -2.666712 -1.317281
C -2.132237 0.046678 0.851265
C -0.995027 -1.254287 -0.885680
C -3.163624 -0.918027 0.910091
C -2.021501 -2.218558 -0.839056
C -3.091048 -2.037564 0.062257
H 2.414675 -0.759151 2.049364
H 3.882699 0.191042 1.740811
H 0.224043 2.086967 1.723165
H 0.286436 0.310740 2.020228
H 3.434083 -0.005925 -0.780731
H 2.052645 -1.059618 -0.421523
H 2.250057 3.301632 1.282939
H 3.683632 2.367089 0.678453
H 3.598887 -2.670843 0.792022
H 4.980177 -1.621910 0.409301
H 4.842453 -3.528360 -1.237347
H 3.183999 -3.042325 -1.691217
H 4.561674 -1.976922 -2.079947
H -2.195561 0.938670 1.483402
H -0.166206 -1.372454 -1.588525
H -4.008578 -0.789366 1.592177
H -1.989591 -3.095395 -1.491754


