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	hartrees
Energy at 0K	-3174.209874
Energy at 298.15K	-3174.214436
HF Energy	-3174.209874
Nuclear repulsion energy	318.402116

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	3089	3049	1.00	75.67	0.22	0.36
2	A	1292	1275	9.16	3.59	0.52	0.68
3	A	1183	1168	57.80	2.21	0.27	0.43
4	A	1038	1025	193.37	1.64	0.73	0.84
5	A	715	706	195.17	2.94	0.42	0.59
6	A	616	608	90.66	13.76	0.09	0.17
7	A	413	407	0.64	5.53	0.14	0.24
8	A	297	293	1.40	3.60	0.35	0.52
9	A	215	212	0.22	4.27	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.591	0.464	0.411
Br2	-1.220	-0.184	-0.028
Cl3	1.843	-0.693	-0.068
F4	0.800	1.648	-0.203
H5	0.624	0.593	1.492

	C1	Br2	Cl3	F4	H5
C1		1.9722	1.7711	1.3503	1.0886
Br2	1.9722		3.1055	2.7322	2.5122
Cl3	1.7711	3.1055		2.5667	2.3604
F4	1.3503	2.7322	2.5667		2.0040
H5	1.0886	2.5122	2.3604	2.0040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.006	Br2	C1	F4	109.201
Br2	C1	H5	106.733	Cl3	C1	F4	109.895
Cl3	C1	H5	108.911	F4	C1	H5	110.040

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.226
2	Br	-0.037
3	Cl	-0.159
4	F	-0.218
5	H	0.188

	x	y	z	Total
	0.165	0.000	1.168	1.180
CHELPG
AIM
ESP

	x	y	z
x	10.039	-0.227	0.045
y	-0.227	7.152	0.150
z	0.045	0.150	6.286

<r²>	183.195
(<r²>)^1/2	13.535