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	hartrees
Energy at 0K	-3173.189683
Energy at 298.15K	-3173.194374
HF Energy	-3173.189683
Nuclear repulsion energy	322.472968

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	3170	3041	1.42	73.61	0.22	0.36
2	A	1337	1282	12.49	3.70	0.66	0.80
3	A	1228	1178	64.97	2.33	0.46	0.63
4	A	1129	1083	195.70	1.13	0.75	0.85
5	A	784	752	205.18	3.64	0.67	0.80
6	A	666	639	58.54	11.09	0.13	0.22
7	A	431	414	0.82	4.42	0.22	0.36
8	A	317	304	0.11	3.02	0.48	0.65
9	A	223	214	0.03	4.11	0.49	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.462	0.408
Br2	-1.201	-0.184	-0.028
Cl3	1.822	-0.683	-0.067
F4	0.779	1.634	-0.201
H5	0.611	0.590	1.483

	C1	Br2	Cl3	F4	H5
C1		1.9373	1.7601	1.3370	1.0839
Br2	1.9373		3.0639	2.6941	2.4835
Cl3	1.7601	3.0639		2.5450	2.3428
F4	1.3370	2.6941	2.5450		1.9896
H5	1.0839	2.4835	2.3428	1.9896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.830	Br2	C1	F4	109.359
Br2	C1	H5	107.167	Cl3	C1	F4	109.762
Cl3	C1	H5	108.580	F4	C1	H5	110.101

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: mPW1PW91/cc-pVTZ

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	0.179
2	Br	-0.060
3	Cl	-0.083
4	F	-0.140
5	H	0.105

	x	y	z	Total
	0.071	0.034	1.216	1.219
CHELPG
AIM
ESP

	x	y	z
x	8.474	-0.223	0.078
y	-0.223	5.617	0.275
z	0.078	0.275	4.720

<r²>	178.965
(<r²>)^1/2	13.378