%chk=000179983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179983

0 1
Cl 4.492457 2.053171 0.433235
F -5.581217 -2.196274 0.538965
F -6.173932 -0.192441 0.825439
F -5.873463 -0.952033 -1.137404
O 4.611934 -0.746099 0.205374
O -1.876276 2.327878 -0.595330
O -0.652405 -1.769832 1.168480
O 3.538363 -1.255581 -1.720118
N -1.188646 0.284494 0.283576
N -3.513020 0.743126 -0.297131
C 0.203589 0.719243 0.321142
C -3.877619 -0.523904 0.160119
C -2.143206 1.202182 -0.230367
C -1.529458 -1.049635 0.758104
C -2.950797 -1.371308 0.669812
C 1.197759 -0.133735 -0.182746
C 2.536650 0.274497 -0.131745
C 0.532099 1.974862 0.864299
C -4.487364 1.694069 -0.892869
C -5.345498 -0.953470 0.095112
C 5.782883 -1.578568 -0.177369
C 2.858159 1.528807 0.401495
C 1.865518 2.381304 0.897189
C 3.577183 -0.646569 -0.675059
C 6.644263 -0.744327 -1.108253
C 6.417698 -1.873913 1.169549
H -3.192703 -2.370218 1.052094
H 0.942432 -1.114506 -0.599684
H -0.250891 2.639254 1.238844
H -3.974118 2.646842 -1.157329
H -5.287784 1.954928 -0.181942
H -4.917509 1.298053 -1.827767
H 5.388320 -2.491415 -0.676004
H 2.133033 3.357449 1.306700
H 7.622173 -1.206770 -1.279787
H 6.159884 -0.616387 -2.087136
H 6.815539 0.261086 -0.700270
H 7.326734 -2.475098 1.059920
H 5.724460 -2.417878 1.825267
H 6.685577 -0.948184 1.697997


%chk=000179983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179983

0 1
Cl 4.478018 2.198112 1.116108
F -5.621230 -2.122467 0.508490
F -6.248171 0.048277 0.434332
F -5.682795 -1.045421 -1.477836
O 4.759050 -0.601016 0.267548
O -1.725114 2.258951 -0.811540
O -0.839899 -1.641778 1.679258
O 3.186422 -1.552269 -1.163530
N -1.261106 0.315328 0.424505
N -3.464602 0.720963 -0.483184
C 0.122364 0.743022 0.587578
C -3.891252 -0.481329 0.084251
C -2.115898 1.170863 -0.318981
C -1.656622 -0.939012 1.026850
C -3.056287 -1.291003 0.812026
C 1.157514 -0.072218 0.106034
C 2.521042 0.293115 0.267192
C 0.417397 1.961099 1.236450
C -4.354667 1.599174 -1.291866
C -5.337270 -0.895897 -0.109393
C 5.822010 -1.548662 -0.246761
C 2.801393 1.530635 0.904880
C 1.759437 2.355565 1.381760
C 3.503544 -0.695642 -0.297194
C 6.403441 -0.974072 -1.546140
C 6.831080 -1.661774 0.896814
H -3.406908 -2.223168 1.253185
H 0.947001 -1.016343 -0.403881
H -0.385909 2.604567 1.604959
H -3.758152 2.473940 -1.584865
H -5.220618 1.925342 -0.695248
H -4.699556 1.069830 -2.193685
H 5.320588 -2.513734 -0.447396
H 2.005257 3.306580 1.861478
H 7.207104 -1.635393 -1.918518
H 5.628536 -0.902816 -2.327473
H 6.831015 0.028295 -1.368759
H 7.642103 -2.356534 0.613154
H 6.347488 -2.043402 1.811869
H 7.275052 -0.676608 1.121929


