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	hartrees
Energy at 0K	-3170.430381
Energy at 298.15K	-3170.434995
HF Energy	-3170.430381
Nuclear repulsion energy	318.885782

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	3181	3055	5.12	78.72	0.28	0.44
2	A	1349	1296	23.30	6.04	0.75	0.86
3	A	1236	1187	84.48	4.77	0.67	0.80
4	A	1134	1089	186.05	1.26	0.70	0.83
5	A	749	719	210.25	4.75	0.53	0.69
6	A	643	617	73.39	10.85	0.15	0.26
7	A	417	401	1.34	5.08	0.27	0.42
8	A	305	293	0.45	3.38	0.51	0.68
9	A	222	213	0.06	5.24	0.49	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.580	0.472	0.415
Br2	-1.215	-0.187	-0.028
Cl3	1.846	-0.689	-0.067
F4	0.785	1.648	-0.205
H5	0.616	0.598	1.494

	C1	Br2	Cl3	F4	H5
C1		1.9633	1.7840	1.3445	1.0874
Br2	1.9633		3.1020	2.7200	2.5075
Cl3	1.7840	3.1020		2.5699	2.3679
F4	1.3445	2.7200	2.5699		2.0046
H5	1.0874	2.5075	2.3679	2.0046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.656	Br2	C1	F4	109.206
Br2	C1	H5	107.032	Cl3	C1	F4	109.661
Cl3	C1	H5	108.669	F4	C1	H5	110.592

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYP/6-31G*

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	0.061
2	Br	-0.069
3	Cl	0.006
4	F	-0.223
5	H	0.225

	x	y	z	Total
	0.002	0.192	1.271	1.286
CHELPG
AIM
ESP

	x	y	z
x	7.749	-0.311	0.049
y	-0.311	4.934	0.298
z	0.049	0.298	4.050

<r²>	182.411
(<r²>)^1/2	13.506