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	hartrees
Energy at 0K	-3171.858727
Energy at 298.15K	-3171.863298
HF Energy	-3171.858727
Nuclear repulsion energy	320.238001

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	3083	3083	4.66	73.31	0.26	0.42
2	A	1300	1300	13.52	4.27	0.71	0.83
3	A	1190	1190	61.79	2.68	0.59	0.74
4	A	1091	1091	168.31	0.82	0.65	0.79
5	A	700	700	203.13	3.25	0.44	0.61
6	A	634	634	70.66	9.08	0.09	0.17
7	A	407	407	1.37	5.53	0.18	0.31
8	A	305	305	1.02	2.81	0.47	0.64
9	A	215	215	0.01	4.22	0.43	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.561	0.476	0.413
Br2	-1.205	-0.192	-0.028
Cl3	1.845	-0.681	-0.067
F4	0.759	1.651	-0.205
H5	0.615	0.598	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9395	1.7938	1.3418	1.0927
Br2	1.9395		3.0899	2.6997	2.5026
Cl3	1.7938	3.0899		2.5761	2.3658
F4	1.3418	2.6997	2.5761		2.0066
H5	1.0927	2.5026	2.3658	2.0066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.655	Br2	C1	F4	109.367
Br2	C1	H5	107.961	Cl3	C1	F4	109.639
Cl3	C1	H5	107.595	F4	C1	H5	110.603

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B97D3/6-31G(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	-0.037
2	Br	0.021
3	Cl	-0.109
4	F	-0.058
5	H	0.182

	x	y	z	Total
	-0.035	0.317	1.120	1.165
CHELPG
AIM
ESP

	x	y	z
x	8.769	-0.326	0.033
y	-0.326	5.996	0.238
z	0.033	0.238	5.151

<r²>	180.779
(<r²>)^1/2	13.445