%chk=000211389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211389

0 1
Cl 4.745462 -0.862118 1.362026
S -0.691030 0.263223 -1.407007
N -3.500973 1.078001 -0.528558
N -5.119013 -0.632124 -0.627400
N -3.419522 -0.794668 1.052419
C 1.073097 0.410917 0.497854
C 0.887478 -0.160950 -0.785539
C -1.095191 1.186022 0.043645
C -0.084227 1.172984 0.943341
C -2.425109 1.850037 0.104976
C 2.281553 0.197302 1.180331
C 1.867859 -0.934963 -1.404471
C 3.247866 -0.578539 0.548588
C 3.066534 -1.147063 -0.725311
C -3.922505 -0.070069 -0.056522
H -0.090264 1.668726 1.905030
H -2.679711 2.127449 1.157889
H -2.383891 2.818460 -0.465403
H 2.451928 0.627225 2.165741
H 1.706519 -1.362565 -2.393470
H 3.860107 -1.745149 -1.173196
H -5.575988 -0.001046 -1.287597
H -4.985776 -1.541729 -1.055648
H -3.810397 -1.701714 1.256250
H -2.433308 -0.717251 1.256033


%chk=000211389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211389

0 1
Cl 4.825963 -0.979862 1.529202
S -0.586881 0.349065 -1.639178
N -3.550295 1.061213 -0.661512
N -5.176803 -0.620542 -0.575269
N -3.460343 -0.690779 1.027492
C 1.078125 0.333127 0.476390
C 1.001535 -0.099070 -0.887508
C -1.101493 1.122559 -0.065879
C -0.128232 1.015530 0.908811
C -2.454548 1.800259 0.004415
C 2.257120 0.061559 1.223155
C 2.061525 -0.789860 -1.508117
C 3.300124 -0.623657 0.585857
C 3.229425 -1.055617 -0.761063
C -4.004321 -0.035767 -0.083248
H -0.252735 1.430611 1.913294
H -2.663106 2.000362 1.082015
H -2.389671 2.784165 -0.498489
H 2.347715 0.381600 2.265175
H 1.995457 -1.117249 -2.550314
H 4.071476 -1.586383 -1.213387
H -5.629682 -0.105280 -1.328352
H -5.288020 -1.632919 -0.554711
H -4.018168 -1.333476 1.584351
H -2.492668 -0.519193 1.290871


