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	hartrees
Energy at 0K	-3168.346763
Energy at 298.15K	-3168.351391
HF Energy	-3168.346763
Nuclear repulsion energy	322.812136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3067	3031	0.74
2	A	1273	1258	13.43
3	A	1167	1153	59.13
4	A	1107	1094	222.71
5	A	755	746	217.68
6	A	644	637	79.36
7	A	423	418	1.16
8	A	309	305	0.45
9	A	218	215	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.464	0.408
Br2	-1.198	-0.186	-0.028
Cl3	1.822	-0.681	-0.067
F4	0.772	1.633	-0.203
H5	0.606	0.594	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9335	1.7617	1.3342	1.0969
Br2	1.9335		3.0605	2.6871	2.4876
Cl3	1.7617	3.0605		2.5440	2.3551
F4	1.3342	2.6871	2.5440		1.9990
H5	1.0969	2.4876	2.3551	1.9990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.751	Br2	C1	F4	109.265
Br2	C1	H5	107.092	Cl3	C1	F4	109.742
Cl3	C1	H5	108.708	F4	C1	H5	110.246

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: LSDA/TZVP

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	-0.111
2	Br	-0.018
3	Cl	0.002
4	F	-0.101
5	H	0.228

	x	y	z	Total
	0.031	-0.054	1.266	1.267
CHELPG
AIM
ESP

	x	y	z
x	8.389	-0.173	0.119
y	-0.173	5.333	0.317
z	0.119	0.317	4.400

<r²>	178.892
(<r²>)^1/2	13.375