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	hartrees
Energy at 0K	-3170.490983
Energy at 298.15K	-3170.495613
HF Energy	-3170.490983
Nuclear repulsion energy	322.509476

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	3148	3037	2.52	73.01	0.26	0.41
2	A	1328	1281	13.55	4.14	0.70	0.82
3	A	1216	1173	64.44	2.59	0.57	0.72
4	A	1118	1079	164.57	0.92	0.74	0.85
5	A	743	717	212.27	3.37	0.60	0.75
6	A	660	636	51.16	10.33	0.08	0.15
7	A	415	400	1.01	4.93	0.19	0.32
8	A	312	301	0.11	2.52	0.49	0.65
9	A	217	210	0.05	3.65	0.45	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.554	0.469	0.414
Br2	-1.195	-0.191	-0.028
Cl3	1.832	-0.676	-0.067
F4	0.752	1.642	-0.204
H5	0.610	0.596	1.493

	C1	Br2	Cl3	F4	H5
C1		1.9214	1.7823	1.3407	1.0875
Br2	1.9214		3.0657	2.6804	2.4886
Cl3	1.7823	3.0657		2.5608	2.3546
F4	1.3407	2.6804	2.5608		1.9991
H5	1.0875	2.4886	2.3546	1.9991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.681	Br2	C1	F4	109.207
Br2	C1	H5	108.392	Cl3	C1	F4	109.351
Cl3	C1	H5	107.801	F4	C1	H5	110.398

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.051
2	Br	0.021
3	Cl	-0.095
4	F	-0.078
5	H	0.204

	x	y	z	Total
	-0.064	0.265	1.162	1.194
CHELPG
AIM
ESP

	x	y	z
x	8.569	-0.322	0.028
y	-0.322	5.923	0.232
z	0.028	0.232	5.123

<r²>	178.617
(<r²>)^1/2	13.365