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	hartrees
Energy at 0K	-3174.165543
Energy at 298.15K	-3174.170089
HF Energy	-3174.165543
Nuclear repulsion energy	317.062242

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	3101	3101	0.99	80.61	0.22	0.36
2	A	1261	1261	8.51	3.42	0.54	0.70
3	A	1167	1167	59.70	1.86	0.35	0.52
4	A	1021	1021	195.27	1.76	0.75	0.86
5	A	710	710	201.05	3.98	0.38	0.55
6	A	615	615	87.08	13.41	0.10	0.18
7	A	406	406	0.57	5.82	0.14	0.25
8	A	293	293	1.14	3.38	0.39	0.56
9	A	214	214	0.14	4.43	0.38	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.466	0.417
Br2	-1.222	-0.186	-0.028
Cl3	1.852	-0.695	-0.068
F4	0.796	1.660	-0.205
H5	0.626	0.601	1.505

	C1	Br2	Cl3	F4	H5
C1		1.9725	1.7856	1.3632	1.0971
Br2	1.9725		3.1161	2.7415	2.5272
Cl3	1.7856	3.1161		2.5849	2.3787
F4	1.3632	2.7415	2.5849		2.0192
H5	1.0971	2.5272	2.3787	2.0192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.934	Br2	C1	F4	109.183
Br2	C1	H5	107.371	Cl3	C1	F4	109.624
Cl3	C1	H5	108.853	F4	C1	H5	109.837

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B97D3/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	0.158
2	Br	0.261
3	Cl	-0.013
4	F	-0.319
5	H	-0.087

	x	y	z	Total
	0.098	-0.000	1.203	1.207
CHELPG
AIM
ESP

	x	y	z
x	10.056	-0.226	0.053
y	-0.226	7.128	0.164
z	0.053	0.164	6.220

<r²>	184.458
(<r²>)^1/2	13.582