%chk=000218587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218587

0 1
Cl 4.485193 2.343111 0.232756
O -0.726088 1.625312 -1.195223
O -4.216031 -0.837568 0.235517
N -1.129804 -0.589405 -0.819821
N 0.491196 -2.011451 0.228733
N -3.483208 1.318747 0.057284
N -4.303964 1.835002 1.091240
C 1.082124 0.319578 -0.285399
C -0.726128 -1.833997 -0.249265
C -0.266490 0.569177 -0.798979
C -2.479548 -0.404967 -1.398378
C 1.425337 -0.961876 0.208332
C 2.037394 1.360938 -0.276973
C -1.712354 -2.946161 -0.192092
C 2.733710 -1.203097 0.707798
C -3.470861 -0.025575 -0.291816
C 3.302393 1.093904 0.214970
C 3.663197 -0.181481 0.709263
H -2.439906 0.383481 -2.194485
H -2.832498 -1.334871 -1.901529
H 1.761621 2.350127 -0.657052
H -1.916321 -3.373795 -1.185341
H -2.681976 -2.629026 0.244005
H -1.340419 -3.776828 0.437470
H 2.977774 -2.199371 1.084067
H 4.674996 -0.345578 1.088663
H -2.784841 1.999568 -0.284028
H -5.292840 1.756286 0.810980
H -4.210358 1.259014 1.941303


%chk=000218587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218587

0 1
Cl 4.466646 2.490026 0.291771
O -0.797908 1.640856 -1.110246
O -4.286716 -0.795123 0.369834
N -1.143069 -0.653127 -0.767899
N 0.527626 -2.090670 0.193385
N -3.465705 1.365925 0.011979
N -4.227796 1.970001 1.050535
C 1.042603 0.297223 -0.254194
C -0.700640 -1.902960 -0.270698
C -0.324228 0.516580 -0.736116
C -2.512072 -0.461713 -1.316833
C 1.422148 -1.009104 0.194036
C 1.965434 1.375835 -0.223448
C -1.671805 -3.058324 -0.267514
C 2.748868 -1.215128 0.668272
C -3.514597 0.009832 -0.238551
C 3.258471 1.129988 0.245412
C 3.666527 -0.154777 0.693160
H -2.435307 0.285969 -2.123518
H -2.879801 -1.411500 -1.725302
H 1.643954 2.363440 -0.565606
H -1.885739 -3.413282 -1.294202
H -2.634035 -2.787873 0.202647
H -1.205453 -3.883845 0.288150
H 3.027835 -2.215675 1.010061
H 4.687513 -0.307594 1.054609
H -2.696247 1.922284 -0.390256
H -5.168547 2.218338 0.713889
H -4.286661 1.333600 1.858642


