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	hartrees
Energy at 0K	-3172.255992
Energy at 298.15K	-3172.260555
HF Energy	-3172.255992
Nuclear repulsion energy	319.143444

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	3069	3032	1.43	81.93	0.23	0.37
2	A	1269	1254	9.37	3.31	0.69	0.82
3	A	1164	1150	55.32	1.70	0.42	0.59
4	A	1044	1031	190.78	1.07	0.62	0.77
5	A	730	722	198.36	3.00	0.61	0.76
6	A	628	620	73.52	10.01	0.12	0.22
7	A	411	406	0.62	4.75	0.22	0.37
8	A	298	295	0.56	3.34	0.47	0.64
9	A	212	210	0.08	4.66	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.583	0.462	0.412
Br2	-1.214	-0.185	-0.028
Cl3	1.837	-0.692	-0.068
F4	0.793	1.652	-0.203
H5	0.619	0.591	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9597	1.7714	1.3559	1.0937
Br2	1.9597		3.0933	2.7263	2.5084
Cl3	1.7714	3.0933		2.5704	2.3627
F4	1.3559	2.7263	2.5704		2.0116
H5	1.0937	2.5084	2.3627	2.0116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.905	Br2	C1	F4	109.273
Br2	C1	H5	107.027	Cl3	C1	F4	109.846
Cl3	C1	H5	108.791	F4	C1	H5	109.951

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBE/Def2TZVPP

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	0.086
2	Br	-0.064
3	Cl	-0.059
4	F	-0.114
5	H	0.151

	x	y	z	Total
	0.147	-0.011	1.146	1.156
CHELPG
AIM
ESP

	x	y	z
x	9.187	-0.236	0.073
y	-0.236	6.230	0.239
z	0.073	0.239	5.283

<r²>	182.247
(<r²>)^1/2	13.500