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	hartrees
Energy at 0K	-3172.398646
Energy at 298.15K	-3172.403319
HF Energy	-3172.128166
Nuclear repulsion energy	321.191002

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	3178	3049	1.51	73.86	0.22	0.36
2	A	1341	1286	12.68	3.81	0.66	0.79
3	A	1232	1182	69.23	2.42	0.47	0.64
4	A	1100	1056	188.34	1.26	0.75	0.86
5	A	773	742	200.50	4.15	0.66	0.79
6	A	661	634	57.11	11.42	0.13	0.23
7	A	425	408	0.79	4.77	0.22	0.36
8	A	314	301	0.09	3.19	0.49	0.65
9	A	223	214	0.02	4.28	0.49	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.463	0.412
Br2	-1.205	-0.186	-0.028
Cl3	1.830	-0.685	-0.067
F4	0.780	1.642	-0.202
H5	0.614	0.593	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9429	1.7686	1.3459	1.0816
Br2	1.9429		3.0764	2.7042	2.4906
Cl3	1.7686	3.0764		2.5568	2.3499
F4	1.3459	2.7042	2.5568		1.9937
H5	1.0816	2.4906	2.3499	1.9937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.885	Br2	C1	F4	109.274
Br2	C1	H5	107.425	Cl3	C1	F4	109.608
Cl3	C1	H5	108.662	F4	C1	H5	109.952

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP/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	0.164
2	Br	-0.057
3	Cl	-0.083
4	F	-0.153
5	H	0.129

	x	y	z	Total
	0.032	-0.022	1.229	1.229
CHELPG
AIM
ESP

	x	y	z
x	8.465	-0.219	0.080
y	-0.219	5.604	0.278
z	0.080	0.278	4.682

<r²>	180.432
(<r²>)^1/2	13.432