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	hartrees
Energy at 0K	-3170.400081
Energy at 298.15K	-3170.404778
HF Energy	-3170.400081
Nuclear repulsion energy	321.691503

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	3184	3184	4.40	79.98	0.26	0.42
2	A	1355	1355	21.71	5.66	0.75	0.86
3	A	1251	1251	80.96	4.57	0.66	0.80
4	A	1161	1161	186.94	1.36	0.74	0.85
5	A	794	794	211.12	4.75	0.65	0.79
6	A	673	673	57.47	11.25	0.14	0.24
7	A	430	430	1.28	4.52	0.27	0.43
8	A	317	317	0.07	3.06	0.53	0.69
9	A	231	231	0.08	4.55	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.469	0.412
Br2	-1.202	-0.187	-0.028
Cl3	1.827	-0.684	-0.067
F4	0.775	1.640	-0.204
H5	0.609	0.595	1.492

	C1	Br2	Cl3	F4	H5
C1		1.9393	1.7724	1.3396	1.0878
Br2	1.9393		3.0701	2.6971	2.4901
Cl3	1.7724	3.0701		2.5551	2.3565
F4	1.3396	2.6971	2.5551		1.9993
H5	1.0878	2.4901	2.3565	1.9993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.536	Br2	C1	F4	109.319
Br2	C1	H5	107.321	Cl3	C1	F4	109.598
Cl3	C1	H5	108.573	F4	C1	H5	110.471

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	0.089
2	Br	-0.072
3	Cl	0.010
4	F	-0.234
5	H	0.207

	x	y	z	Total
	-0.047	0.163	1.302	1.313
CHELPG
AIM
ESP

	x	y	z
x	7.526	-0.296	0.052
y	-0.296	4.885	0.299
z	0.052	0.299	4.058

<r²>	179.487
(<r²>)^1/2	13.397