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	hartrees
Energy at 0K	-3172.181863
Energy at 298.15K	-3172.186526
HF Energy	-3171.987641
Nuclear repulsion energy	319.568260

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	3180	3046	4.56	85.23	0.24	0.39
2	A	1327	1271	19.91	5.08	0.74	0.85
3	A	1219	1167	78.47	3.54	0.64	0.78
4	A	1116	1069	203.21	1.28	0.71	0.83
5	A	773	740	208.73	4.61	0.60	0.75
6	A	655	628	62.04	10.87	0.16	0.28
7	A	424	406	1.09	4.97	0.28	0.43
8	A	312	299	0.24	3.52	0.53	0.69
9	A	224	214	0.05	5.70	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.576	0.466	0.412
Br2	-1.212	-0.187	-0.028
Cl3	1.841	-0.688	-0.068
F4	0.783	1.648	-0.203
H5	0.616	0.594	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9536	1.7778	1.3490	1.0945
Br2	1.9536		3.0935	2.7163	2.5062
Cl3	1.7778	3.0935		2.5678	2.3655
F4	1.3490	2.7163	2.5678		2.0090
H5	1.0945	2.5062	2.3655	2.0090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.917	Br2	C1	F4	109.299
Br2	C1	H5	107.225	Cl3	C1	F4	109.655
Cl3	C1	H5	108.539	F4	C1	H5	110.171

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP/cc-pVDZ

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	0.128
2	Br	-0.028
3	Cl	-0.048
4	F	-0.162
5	H	0.111

	x	y	z	Total
	0.000	0.021	1.263	1.263
CHELPG
AIM
ESP

	x	y	z
x	7.434	-0.224	0.101
y	-0.224	4.559	0.339
z	0.101	0.339	3.609

<r²>	181.851
(<r²>)^1/2	13.485