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	hartrees
Energy at 0K	-3172.158536
Energy at 298.15K	-3172.163096
HF Energy	-3172.158536
Nuclear repulsion energy	317.479738

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	3065	3047	4.37	90.34	0.25	0.39
2	A	1257	1249	16.90	5.58	0.75	0.86
3	A	1146	1139	64.79	3.67	0.67	0.80
4	A	1085	1078	203.64	1.11	0.43	0.60
5	A	724	719	212.79	3.45	0.46	0.63
6	A	622	619	79.36	9.13	0.17	0.29
7	A	409	407	1.08	5.29	0.28	0.44
8	A	296	295	1.27	3.60	0.53	0.69
9	A	213	212	0.09	6.43	0.52	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.584	0.473	0.412
Br2	-1.220	-0.187	-0.028
Cl3	1.850	-0.694	-0.068
F4	0.792	1.658	-0.204
H5	0.619	0.593	1.510

	C1	Br2	Cl3	F4	H5
C1		1.9706	1.7881	1.3526	1.1050
Br2	1.9706		3.1125	2.7361	2.5216
Cl3	1.7881	3.1125		2.5833	2.3797
F4	1.3526	2.7361	2.5833		2.0263
H5	1.1050	2.5216	2.3797	2.0263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.710	Br2	C1	F4	109.429
Br2	C1	H5	106.739	Cl3	C1	F4	109.900
Cl3	C1	H5	108.352	F4	C1	H5	110.670

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.047
2	Br	-0.025
3	Cl	-0.035
4	F	-0.108
5	H	0.121

	x	y	z	Total
	0.078	0.171	1.175	1.190
CHELPG
AIM
ESP

	x	y	z
x	7.844	-0.240	0.101
y	-0.240	4.779	0.349
z	0.101	0.349	3.733

<r²>	183.677
(<r²>)^1/2	13.553