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	hartrees
Energy at 0K	-3169.987502
Energy at 298.15K	-3169.992204
HF Energy	-3169.987502
Nuclear repulsion energy	324.704239

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	3155	3022	2.43	69.93	0.25	0.40
2	A	1337	1281	14.40	4.13	0.70	0.82
3	A	1229	1177	61.46	2.67	0.57	0.72
4	A	1155	1106	162.62	0.98	0.75	0.86
5	A	784	751	202.93	3.15	0.65	0.79
6	A	680	651	44.01	10.12	0.08	0.15
7	A	430	412	0.83	4.35	0.20	0.33
8	A	324	311	0.02	2.31	0.48	0.65
9	A	226	217	0.05	3.23	0.46	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.552	0.466	0.410
Br2	-1.187	-0.190	-0.028
Cl3	1.817	-0.673	-0.067
F4	0.749	1.632	-0.203
H5	0.606	0.590	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9094	1.7673	1.3317	1.0894
Br2	1.9094		3.0430	2.6639	2.4763
Cl3	1.7673	3.0430		2.5432	2.3423
F4	1.3317	2.6639	2.5432		1.9933
H5	1.0894	2.4763	2.3423	1.9933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.654	Br2	C1	F4	109.254
Br2	C1	H5	108.198	Cl3	C1	F4	109.498
Cl3	C1	H5	107.789	F4	C1	H5	110.432

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.067
2	Br	0.029
3	Cl	-0.089
4	F	-0.074
5	H	0.201

	x	y	z	Total
	-0.059	0.213	1.148	1.169
CHELPG
AIM
ESP

	x	y	z
x	8.360	-0.309	0.033
y	-0.309	5.810	0.231
z	0.033	0.231	5.077

<r²>	176.517
(<r²>)^1/2	13.286