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	hartrees
Energy at 0K	-3157.921895
Energy at 298.15K	-3157.926447
HF Energy	-3157.921895
Nuclear repulsion energy	317.465237

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	3171	3051	6.05	79.02	0.28	0.44
2	A	1337	1286	14.17	8.14	0.75	0.86
3	A	1254	1207	64.32	6.33	0.73	0.85
4	A	1095	1053	126.60	1.57	0.64	0.78
5	A	688	662	234.82	5.57	0.60	0.75
6	A	651	626	41.24	10.90	0.12	0.22
7	A	389	374	2.42	6.12	0.28	0.44
8	A	292	281	0.04	3.31	0.64	0.78
9	A	220	212	0.13	5.54	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.564	0.477	0.424
Br2	-1.211	-0.189	-0.030
Cl3	1.838	-0.705	-0.069
F4	0.793	1.686	-0.205
H5	0.610	0.577	1.504

	C1	Br2	Cl3	F4	H5
C1		1.9496	1.8062	1.3810	1.0857
Br2	1.9496		3.0921	2.7499	2.5010
Cl3	1.8062	3.0921		2.6124	2.3714
F4	1.3810	2.7499	2.6124		2.0450
H5	1.0857	2.5010	2.3714	2.0450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.769	Br2	C1	F4	110.136
Br2	C1	H5	107.533	Cl3	C1	F4	109.375
Cl3	C1	H5	107.546	F4	C1	H5	111.446

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYP/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	-0.038
2	Br	0.000
3	Cl	0.007
4	F	-0.247
5	H	0.278

	x	y	z	Total
	-0.399	-0.004	1.383	1.439
CHELPG
AIM
ESP

	x	y	z
x	7.220	-0.322	0.048
y	-0.322	4.539	0.288
z	0.048	0.288	3.550

<r²>	183.246
(<r²>)^1/2	13.537