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	hartrees
Energy at 0K	-3170.429542
Energy at 298.15K	-3170.434041
HF Energy	-3170.429542
Nuclear repulsion energy	314.847760

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	3093	3077	0.78	79.43	0.26	0.41
2	A	1268	1261	12.84	4.80	0.71	0.83
3	A	1182	1176	74.73	3.87	0.48	0.65
4	A	997	992	210.94	1.26	0.66	0.80
5	A	696	693	219.71	4.23	0.49	0.66
6	A	606	603	89.17	13.85	0.09	0.16
7	A	397	395	0.80	5.75	0.22	0.36
8	A	291	290	0.69	3.79	0.46	0.63
9	A	209	208	0.06	5.62	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.583	0.462	0.422
Br2	-1.233	-0.190	-0.029
Cl3	1.877	-0.691	-0.069
F4	0.791	1.667	-0.205
H5	0.622	0.601	1.507

	C1	Br2	Cl3	F4	H5
C1		1.9808	1.8010	1.3752	1.0944
Br2	1.9808		3.1496	2.7522	2.5347
Cl3	1.8010	3.1496		2.5996	2.3932
F4	1.3752	2.7522	2.5996		2.0246
H5	1.0944	2.5347	2.3932	2.0246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.693	Br2	C1	F4	108.846
Br2	C1	H5	107.495	Cl3	C1	F4	109.126
Cl3	C1	H5	109.037	F4	C1	H5	109.602

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: BLYP/6-31+G**

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	-0.086
2	Br	-0.024
3	Cl	0.069
4	F	-0.169
5	H	0.210

	x	y	z	Total
	-0.047	-0.130	1.309	1.317
CHELPG
AIM
ESP

	x	y	z
x	9.426	-0.258	0.042
y	-0.258	6.418	0.215
z	0.042	0.215	5.400