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	hartrees
Energy at 0K	-3169.497265
Energy at 298.15K	-3169.501709
HF Energy	-3169.497265
Nuclear repulsion energy	310.866504

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	3141	3097	3.67	92.93	0.26	0.42
2	A	1260	1243	12.83	9.37	0.75	0.86
3	A	1175	1159	60.86	8.24	0.75	0.85
4	A	1029	1014	172.98	1.77	0.26	0.42
5	A	665	655	228.77	6.55	0.31	0.47
6	A	601	592	81.82	9.47	0.23	0.37
7	A	375	370	2.38	7.67	0.33	0.50
8	A	282	278	0.74	4.79	0.66	0.79
9	A	206	203	0.19	9.06	0.57	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.493	0.435
Br2	-1.238	-0.198	-0.030
Cl3	1.894	-0.708	-0.069
F4	0.788	1.711	-0.212
H5	0.621	0.614	1.521

	C1	Br2	Cl3	F4	H5
C1		1.9926	1.8554	1.3959	1.0940
Br2	1.9926		3.1736	2.7897	2.5535
Cl3	1.8554	3.1736		2.6638	2.4285
F4	1.3959	2.7897	2.6638		2.0573
H5	1.0940	2.5535	2.4285	2.0573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.071	Br2	C1	F4	109.567
Br2	C1	H5	108.079	Cl3	C1	F4	109.215
Cl3	C1	H5	108.055	F4	C1	H5	110.844

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBE/6-31G

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	-0.268
2	Br	0.126
3	Cl	0.085
4	F	-0.213
5	H	0.270

	x	y	z	Total
	-0.311	0.106	1.603	1.636
CHELPG
AIM
ESP

	x	y	z
x	7.727	-0.228	0.130
y	-0.228	4.225	0.386
z	0.130	0.386	2.790

<r²>	190.885
(<r²>)^1/2	13.816