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	hartrees
Energy at 0K	-3173.054553
Energy at 298.15K	-3173.059182
HF Energy	-3173.054553
Nuclear repulsion energy	319.517826

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	3153	3048	1.49	75.05	0.23	0.37
2	A	1329	1284	12.20	3.91	0.66	0.79
3	A	1216	1176	67.55	2.43	0.45	0.62
4	A	1093	1056	195.31	1.11	0.75	0.86
5	A	745	721	203.92	3.96	0.62	0.77
6	A	642	621	68.20	11.65	0.14	0.24
7	A	419	405	0.80	5.01	0.22	0.35
8	A	307	297	0.38	3.42	0.47	0.64
9	A	218	211	0.04	4.74	0.48	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.579	0.466	0.411
Br2	-1.214	-0.186	-0.028
Cl3	1.843	-0.687	-0.067
F4	0.785	1.645	-0.203
H5	0.617	0.594	1.486

	C1	Br2	Cl3	F4	H5
C1		1.9581	1.7763	1.3448	1.0829
Br2	1.9581		3.0976	2.7164	2.5009
Cl3	1.7763	3.0976		2.5638	2.3567
F4	1.3448	2.7164	2.5638		1.9962
H5	1.0829	2.5009	2.3567	1.9962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.001	Br2	C1	F4	109.251
Br2	C1	H5	107.113	Cl3	C1	F4	109.689
Cl3	C1	H5	108.591	F4	C1	H5	110.159

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	0.170
2	Br	-0.056
3	Cl	-0.082
4	F	-0.151
5	H	0.120

	x	y	z	Total
	0.065	0.022	1.229	1.230
CHELPG
AIM
ESP

	x	y	z
x	8.704	-0.228	0.083
y	-0.228	5.686	0.286
z	0.083	0.286	4.744

<r²>	182.201
(<r²>)^1/2	13.498