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	hartrees
Energy at 0K	-3169.666237
Energy at 298.15K	-3169.670895
HF Energy	-3169.485897
Nuclear repulsion energy	320.190524

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	3217	3054	4.56	76.55	0.28	0.43
2	A	1365	1295	23.07	6.05	0.75	0.86
3	A	1261	1197	86.04	4.79	0.66	0.80
4	A	1133	1075	179.30	1.43	0.72	0.84
5	A	782	742	202.59	4.81	0.58	0.74
6	A	658	624	67.30	11.23	0.15	0.26
7	A	424	403	1.36	4.80	0.27	0.42
8	A	310	295	0.15	3.33	0.51	0.68
9	A	228	216	0.07	4.93	0.50	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.579	0.464	0.416
Br2	-1.209	-0.186	-0.028
Cl3	1.835	-0.687	-0.068
F4	0.783	1.645	-0.205
H5	0.615	0.595	1.493

	C1	Br2	Cl3	F4	H5
C1		1.9537	1.7713	1.3495	1.0854
Br2	1.9537		3.0852	2.7114	2.5010
Cl3	1.7713	3.0852		2.5613	2.3596
F4	1.3495	2.7114	2.5613		2.0033
H5	1.0854	2.5010	2.3596	2.0033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.742	Br2	C1	F4	108.962
Br2	C1	H5	107.276	Cl3	C1	F4	109.577
Cl3	C1	H5	109.009	F4	C1	H5	110.248

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP/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	0.074
2	Br	-0.074
3	Cl	0.012
4	F	-0.243
5	H	0.230

	x	y	z	Total
	0.035	0.100	1.298	1.302
CHELPG
AIM
ESP

	x	y	z
x	7.568	-0.296	0.049
y	-0.296	4.866	0.292
z	0.049	0.292	4.011

<r²>	181.129
(<r²>)^1/2	13.458