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	hartrees
Energy at 0K	-3172.935211
Energy at 298.15K	-3172.939721
HF Energy	-3172.935211
Nuclear repulsion energy	315.813826

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	3068	3051	0.27	75.60	0.22	0.36
2	A	1276	1269	8.43	3.67	0.52	0.68
3	A	1166	1160	57.61	2.21	0.28	0.44
4	A	1004	998	186.52	1.71	0.75	0.85
5	A	696	692	193.10	3.27	0.42	0.59
6	A	604	601	87.00	14.06	0.09	0.17
7	A	401	399	0.58	5.82	0.14	0.25
8	A	290	289	1.14	3.64	0.36	0.53
9	A	208	207	0.17	4.52	0.38	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.592	0.466	0.416
Br2	-1.230	-0.186	-0.028
Cl3	1.863	-0.695	-0.068
F4	0.801	1.660	-0.204
H5	0.628	0.597	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9856	1.7885	1.3623	1.0895
Br2	1.9856		3.1354	2.7511	2.5285
Cl3	1.7885	3.1354		2.5874	2.3762
F4	1.3623	2.7511	2.5874		2.0136
H5	1.0895	2.5285	2.3762	2.0136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.251	Br2	C1	F4	109.099
Br2	C1	H5	106.985	Cl3	C1	F4	109.667
Cl3	C1	H5	108.866	F4	C1	H5	109.926

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: BLYP/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	0.130
2	Br	-0.006
3	Cl	-0.145
4	F	-0.207
5	H	0.228

	x	y	z	Total
	0.096	-0.062	1.182	1.188
CHELPG
AIM
ESP

	x	y	z
x	10.341	-0.237	0.043
y	-0.237	7.328	0.148
z	0.043	0.148	6.392

<r²>	186.290
(<r²>)^1/2	13.649