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	hartrees
Energy at 0K	-3172.933222
Energy at 298.15K	-3172.937841
HF Energy	-3172.933222
Nuclear repulsion energy	318.617984

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	3162	3068	0.17	77.67	0.21	0.35
2	A	1293	1255	9.23	3.39	0.52	0.68
3	A	1199	1163	62.45	2.04	0.38	0.55
4	A	1059	1028	188.89	2.15	0.73	0.84
5	A	751	729	200.15	4.36	0.54	0.70
6	A	641	622	63.68	14.56	0.10	0.18
7	A	416	403	0.59	5.16	0.15	0.26
8	A	305	296	0.14	3.02	0.41	0.58
9	A	219	213	0.03	3.80	0.40	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.577	0.463	0.417
Br2	-1.216	-0.187	-0.029
Cl3	1.848	-0.688	-0.068
F4	0.785	1.652	-0.205
H5	0.621	0.600	1.500

	C1	Br2	Cl3	F4	H5
C1		1.9581	1.7817	1.3578	1.0926
Br2	1.9581		3.1044	2.7234	2.5159
Cl3	1.7817	3.1044		2.5733	2.3713
F4	1.3578	2.7234	2.5733		2.0095
H5	1.0926	2.5159	2.3713	2.0095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.133	Br2	C1	F4	109.091
Br2	C1	H5	107.713	Cl3	C1	F4	109.359
Cl3	C1	H5	108.804	F4	C1	H5	109.708

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYPultrafine/aug-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	0.198
2	Br	0.279
3	Cl	-0.005
4	F	-0.333
5	H	-0.138

	x	y	z	Total
	0.004	-0.074	1.246	1.248
CHELPG
AIM
ESP

	x	y	z
x	9.714	-0.220	0.055
y	-0.220	6.899	0.165
z	0.055	0.165	6.059

<r²>	183.216
(<r²>)^1/2	13.536