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	hartrees
Energy at 0K	-3173.334262
Energy at 298.15K	-3173.338940
HF Energy	-3173.334262
Nuclear repulsion energy	323.456498

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	3175	3175	1.11	77.31	0.22	0.37
2	A	1332	1332	12.19	3.18	0.67	0.80
3	A	1224	1224	61.93	1.88	0.41	0.58
4	A	1122	1122	195.77	1.39	0.75	0.86
5	A	790	790	199.71	3.85	0.71	0.83
6	A	665	665	57.05	11.30	0.12	0.22
7	A	430	430	0.78	4.07	0.23	0.37
8	A	315	315	0.05	2.96	0.48	0.64
9	A	222	222	0.04	3.81	0.49	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.457	0.408
Br2	-1.197	-0.183	-0.028
Cl3	1.813	-0.683	-0.067
F4	0.780	1.631	-0.201
H5	0.612	0.589	1.482

	C1	Br2	Cl3	F4	H5
C1		1.9316	1.7506	1.3385	1.0823
Br2	1.9316		3.0516	2.6885	2.4792
Cl3	1.7506	3.0516		2.5371	2.3367
F4	1.3385	2.6885	2.5371		1.9866
H5	1.0823	2.4792	2.3367	1.9866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.845	Br2	C1	F4	109.253
Br2	C1	H5	107.305	Cl3	C1	F4	109.714
Cl3	C1	H5	108.844	F4	C1	H5	109.838

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B1B95/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	0.095
2	Br	-0.055
3	Cl	-0.054
4	F	-0.142
5	H	0.156

	x	y	z	Total
	0.083	-0.068	1.203	1.208
CHELPG
AIM
ESP

	x	y	z
x	8.662	-0.223	0.071
y	-0.223	5.922	0.229
z	0.071	0.229	5.099

<r²>	177.915
(<r²>)^1/2	13.338