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	hartrees
Energy at 0K	-3170.398731
Energy at 298.15K	-3170.403421
HF Energy	-3170.398731
Nuclear repulsion energy	321.670756

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	3200	3036	4.68	78.96	0.27	0.43
2	A	1366	1296	23.20	5.77	0.75	0.86
3	A	1263	1198	84.76	4.78	0.66	0.80
4	A	1160	1100	186.74	1.36	0.74	0.85
5	A	795	754	210.87	4.70	0.65	0.79
6	A	673	638	57.85	11.26	0.14	0.25
7	A	430	408	1.27	4.51	0.27	0.43
8	A	317	301	0.07	3.06	0.53	0.69
9	A	231	219	0.08	4.55	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.468	0.413
Br2	-1.202	-0.187	-0.028
Cl3	1.828	-0.684	-0.067
F4	0.775	1.640	-0.204
H5	0.610	0.598	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9396	1.7723	1.3399	1.0873
Br2	1.9396		3.0703	2.6972	2.4916
Cl3	1.7723	3.0703		2.5550	2.3572
F4	1.3399	2.6972	2.5550		1.9971
H5	1.0873	2.4916	2.3572	1.9971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.537	Br2	C1	F4	109.296
Br2	C1	H5	107.437	Cl3	C1	F4	109.587
Cl3	C1	H5	108.660	F4	C1	H5	110.300

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/6-31G*

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	0.043
2	Br	-0.069
3	Cl	0.011
4	F	-0.231
5	H	0.246

	x	y	z	Total
	-0.047	0.161	1.305	1.315
CHELPG
AIM
ESP

	x	y	z
x	7.514	-0.297	0.049
y	-0.297	4.873	0.297
z	0.049	0.297	4.044

<r²>	179.506
(<r²>)^1/2	13.398