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	hartrees
Energy at 0K	-3173.059353
Energy at 298.15K	-3173.063965
HF Energy	-3173.059353
Nuclear repulsion energy	319.548818

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	3154	3154	0.22	74.62	0.20	0.33
2	A	1323	1323	10.21	3.78	0.45	0.62
3	A	1215	1215	62.45	2.29	0.31	0.47
4	A	1075	1075	189.10	2.12	0.63	0.78
5	A	745	745	197.77	3.67	0.54	0.70
6	A	643	643	64.71	15.22	0.09	0.16
7	A	418	418	0.61	5.48	0.13	0.23
8	A	307	307	0.23	3.06	0.38	0.55
9	A	218	218	0.03	3.64	0.36	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.578	0.464	0.412
Br2	-1.214	-0.186	-0.028
Cl3	1.842	-0.687	-0.067
F4	0.785	1.645	-0.203
H5	0.618	0.595	1.486

	C1	Br2	Cl3	F4	H5
C1		1.9558	1.7758	1.3481	1.0828
Br2	1.9558		3.0970	2.7167	2.5015
Cl3	1.7758	3.0970		2.5642	2.3573
F4	1.3481	2.7167	2.5642		1.9960
H5	1.0828	2.5015	2.3573	1.9960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.093	Br2	C1	F4	109.242
Br2	C1	H5	107.304	Cl3	C1	F4	109.581
Cl3	C1	H5	108.673	F4	C1	H5	109.911

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B3LYP/daug-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	0.878
2	Br	-0.263
3	Cl	-0.438
4	F	-0.656
5	H	0.478

	x	y	z	Total
	0.019	-0.056	1.211	1.212
CHELPG
AIM
ESP

	x	y	z
x	9.950	-0.237	0.040
y	-0.237	7.195	0.151
z	0.040	0.151	6.402

<r²>	182.335
(<r²>)^1/2	13.503