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	hartrees
Energy at 0K	-3172.895642
Energy at 298.15K	-3172.900254
HF Energy	-3172.895642
Nuclear repulsion energy	320.663794

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	3150	3150	1.13	78.82	0.23	0.37
2	A	1318	1318	11.43	3.12	0.67	0.80
3	A	1210	1210	64.14	1.70	0.40	0.57
4	A	1075	1075	196.25	1.33	0.73	0.84
5	A	751	751	206.63	3.79	0.66	0.79
6	A	646	646	67.75	11.26	0.13	0.23
7	A	417	417	0.74	4.66	0.22	0.36
8	A	305	305	0.24	3.26	0.47	0.64
9	A	216	216	0.05	4.32	0.48	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.577	0.461	0.413
Br2	-1.208	-0.185	-0.028
Cl3	1.831	-0.688	-0.068
F4	0.785	1.644	-0.203
H5	0.616	0.593	1.489

	C1	Br2	Cl3	F4	H5
C1		1.9483	1.7671	1.3503	1.0846
Br2	1.9483		3.0797	2.7108	2.4963
Cl3	1.7671	3.0797		2.5591	2.3533
F4	1.3503	2.7108	2.5591		1.9994
H5	1.0846	2.4963	2.3533	1.9994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.877	Br2	C1	F4	109.183
Br2	C1	H5	107.339	Cl3	C1	F4	109.628
Cl3	C1	H5	108.863	F4	C1	H5	109.915

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: TPSSh/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	0.175
2	Br	-0.080
3	Cl	-0.076
4	F	-0.138
5	H	0.119

	x	y	z	Total
	0.111	-0.007	1.211	1.216
CHELPG
AIM
ESP

	x	y	z
x	8.922	-0.235	0.068
y	-0.235	6.066	0.230
z	0.068	0.230	5.162

<r²>	180.686
(<r²>)^1/2	13.442