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	hartrees
Energy at 0K	-3137.037182
Energy at 298.15K	-3137.041594
HF Energy	-3137.037182
Nuclear repulsion energy	309.725549

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	3183	2908	5.08	43.14	0.40	0.57
2	A	1349	1232	58.36	4.69	0.67	0.80
3	A	1227	1121	68.21	3.69	0.69	0.81
4	A	1217	1111	51.66	6.79	0.74	0.85
5	A	741	677	181.72	5.80	0.54	0.70
6	A	667	609	31.01	8.77	0.12	0.22
7	A	406	371	5.42	4.91	0.29	0.45
8	A	313	286	0.55	2.75	0.74	0.85
9	A	206	189	1.43	4.87	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.531	0.522	0.410
Br2	-1.239	-0.208	-0.030
Cl3	1.919	-0.706	-0.065
F4	0.770	1.728	-0.206
H5	0.621	0.603	1.532

	C1	Br2	Cl3	F4	H5
C1		1.9647	1.9127	1.3751	1.1282
Br2	1.9647		3.1977	2.7957	2.5602
Cl3	1.9127	3.1977		2.6950	2.4389
F4	1.3751	2.7957	2.6950		2.0750
H5	1.1282	2.5602	2.4389	2.0750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.108	Br2	C1	F4	112.465
Br2	C1	H5	108.699	Cl3	C1	F4	109.011
Cl3	C1	H5	103.623	F4	C1	H5	111.596

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBE/STO-3G

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	0.015
2	Br	0.032
3	Cl	-0.174
4	F	0.002
5	H	0.125

	x	y	z	Total
	-0.898	1.606	1.046	2.116
CHELPG
AIM
ESP

	x	y	z
x	4.657	-0.171	0.082
y	-0.171	2.368	0.237
z	0.082	0.237	1.134

<r²>	190.472
(<r²>)^1/2	13.801