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	hartrees
Energy at 0K	-3172.906022
Energy at 298.15K	-3172.910717
HF Energy	-3172.906022
Nuclear repulsion energy	321.358193

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	3174	3038	0.17	71.90	0.20	0.34
2	A	1310	1254	10.16	3.20	0.51	0.68
3	A	1222	1169	64.44	1.97	0.42	0.59
4	A	1095	1048	188.98	2.10	0.72	0.84
5	A	793	759	199.39	4.20	0.64	0.78
6	A	672	643	46.82	14.18	0.09	0.16
7	A	427	409	0.63	4.62	0.14	0.25
8	A	317	304	0.04	2.54	0.43	0.61
9	A	228	218	0.01	3.19	0.41	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	0.462	0.415
Br2	-1.203	-0.187	-0.029
Cl3	1.830	-0.684	-0.068
F4	0.775	1.644	-0.204
H5	0.615	0.600	1.499

	C1	Br2	Cl3	F4	H5
C1		1.9353	1.7727	1.3506	1.0931
Br2	1.9353		3.0729	2.7003	2.5009
Cl3	1.7727	3.0729		2.5588	2.3617
F4	1.3506	2.7003	2.5588		2.0036
H5	1.0931	2.5009	2.3617	2.0036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.861	Br2	C1	F4	109.229
Br2	C1	H5	108.097	Cl3	C1	F4	109.274
Cl3	C1	H5	108.657	F4	C1	H5	109.695

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.030
2	Br	0.319
3	Cl	0.003
4	F	-0.326
5	H	-0.026

	x	y	z	Total
	-0.046	-0.039	1.256	1.257
CHELPG
AIM
ESP

	x	y	z
x	9.364	-0.210	0.053
y	-0.210	6.752	0.160
z	0.053	0.160	5.977

<r²>	180.181
(<r²>)^1/2	13.423