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	hartrees
Energy at 0K	-3157.157796
Energy at 298.15K	-3157.162385
HF Energy	-3156.999730
Nuclear repulsion energy	318.232749

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	3204	3204	5.35	76.41	0.28	0.43
2	A	1356	1356	15.23	8.25	0.75	0.86
3	A	1278	1278	67.88	6.37	0.73	0.84
4	A	1098	1098	118.82	1.83	0.70	0.82
5	A	714	714	223.89	6.09	0.64	0.78
6	A	662	662	39.85	11.33	0.12	0.21
7	A	395	395	2.10	5.97	0.28	0.44
8	A	296	296	0.15	3.37	0.63	0.77
9	A	225	225	0.16	5.25	0.53	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.471	0.426
Br2	-1.208	-0.188	-0.030
Cl3	1.829	-0.705	-0.069
F4	0.796	1.683	-0.204
H5	0.611	0.576	1.503

	C1	Br2	Cl3	F4	H5
C1		1.9455	1.7962	1.3852	1.0834
Br2	1.9455		3.0810	2.7465	2.4978
Cl3	1.7962	3.0810		2.6059	2.3662
F4	1.3852	2.7465	2.6059		2.0433
H5	1.0834	2.4978	2.3662	2.0433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.793	Br2	C1	F4	109.953
Br2	C1	H5	107.675	Cl3	C1	F4	109.309
Cl3	C1	H5	107.941	F4	C1	H5	111.145

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP/3-21G*

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	-0.004
2	Br	-0.013
3	Cl	0.005
4	F	-0.263
5	H	0.275

	x	y	z	Total
	-0.346	-0.073	1.423	1.467
CHELPG
AIM
ESP

	x	y	z
x	7.045	-0.304	0.048
y	-0.304	4.476	0.281
z	0.048	0.281	3.512

<r²>	182.529
(<r²>)^1/2	13.510