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	hartrees
Energy at 0K	-3169.866122
Energy at 298.15K	-3169.870708
HF Energy	-3169.866122
Nuclear repulsion energy	321.081606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3059	3027	3.08	72.75	0.26	0.42
2	A	1279	1266	12.24	4.44	0.72	0.84
3	A	1171	1159	56.81	2.88	0.61	0.75
4	A	1097	1086	159.43	0.78	0.63	0.77
5	A	722	715	204.33	2.78	0.50	0.67
6	A	643	637	56.07	9.17	0.08	0.15
7	A	409	405	1.04	5.05	0.19	0.33
8	A	306	303	0.35	2.59	0.49	0.66
9	A	214	212	0.02	3.94	0.45	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.558	0.473	0.414
Br2	-1.201	-0.192	-0.028
Cl3	1.839	-0.680	-0.067
F4	0.756	1.649	-0.205
H5	0.613	0.595	1.503

	C1	Br2	Cl3	F4	H5
C1		1.9319	1.7887	1.3435	1.0982
Br2	1.9319		3.0790	2.6928	2.5014
Cl3	1.7887	3.0790		2.5715	2.3652
F4	1.3435	2.6928	2.5715		2.0124
H5	1.0982	2.5014	2.3652	2.0124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.644	Br2	C1	F4	109.286
Br2	C1	H5	108.111	Cl3	C1	F4	109.554
Cl3	C1	H5	107.613	F4	C1	H5	110.617

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.093
2	Br	0.029
3	Cl	-0.094
4	F	-0.028
5	H	0.186

	x	y	z	Total
	-0.038	0.317	1.094	1.139
CHELPG
AIM
ESP

	x	y	z
x	8.754	-0.323	0.035
y	-0.323	6.005	0.238
z	0.035	0.238	5.169

<r²>	179.989
(<r²>)^1/2	13.416