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	hartrees
Energy at 0K	-3174.166577
Energy at 298.15K	-3174.171125
HF Energy	-3174.166577
Nuclear repulsion energy	317.050291

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	1.06	80.03	0.21	0.35
2	A	1264	1264	8.36	3.79	0.50	0.66
3	A	1168	1168	60.05	1.95	0.30	0.46
4	A	1020	1020	195.45	1.63	0.73	0.84
5	A	710	710	200.21	3.59	0.34	0.51
6	A	615	615	87.25	14.29	0.08	0.15
7	A	406	406	0.60	6.17	0.13	0.23
8	A	294	294	1.22	3.36	0.36	0.53
9	A	214	214	0.14	4.37	0.35	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.466	0.417
Br2	-1.222	-0.187	-0.028
Cl3	1.852	-0.695	-0.068
F4	0.795	1.660	-0.205
H5	0.626	0.602	1.505

	C1	Br2	Cl3	F4	H5
C1		1.9726	1.7860	1.3627	1.0967
Br2	1.9726		3.1169	2.7409	2.5273
Cl3	1.7860	3.1169		2.5846	2.3792
F4	1.3627	2.7409	2.5846		2.0180
H5	1.0967	2.5273	2.3792	2.0180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.952	Br2	C1	F4	109.156
Br2	C1	H5	107.396	Cl3	C1	F4	109.607
Cl3	C1	H5	108.883	F4	C1	H5	109.808

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B97D3/daug-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	0.274
2	Br	0.284
3	Cl	0.201
4	F	-0.472
5	H	-0.288

	x	y	z	Total
	0.093	0.008	1.187	1.191
CHELPG
AIM
ESP

	x	y	z
x	10.290	-0.246	0.037
y	-0.246	7.432	0.156
z	0.037	0.156	6.564

<r²>	184.474
(<r²>)^1/2	13.582