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	hartrees
Energy at 0K	-3172.285735
Energy at 298.15K	-3172.290421
HF Energy	-3172.285735
Nuclear repulsion energy	321.625187

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	3170	3048	3.15	85.29	0.23	0.38
2	A	1316	1266	19.79	4.80	0.74	0.85
3	A	1208	1162	72.52	3.41	0.64	0.78
4	A	1145	1101	210.17	1.15	0.69	0.82
5	A	786	755	216.79	3.94	0.61	0.76
6	A	663	638	62.04	10.30	0.16	0.28
7	A	431	414	1.07	4.55	0.29	0.45
8	A	316	304	0.23	3.25	0.54	0.70
9	A	226	217	0.06	5.50	0.53	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.464	0.409
Br2	-1.203	-0.186	-0.028
Cl3	1.828	-0.684	-0.067
F4	0.778	1.638	-0.203
H5	0.612	0.590	1.497

	C1	Br2	Cl3	F4	H5
C1		1.9410	1.7668	1.3399	1.0960
Br2	1.9410		3.0721	2.6989	2.4949
Cl3	1.7668	3.0721		2.5520	2.3559
F4	1.3399	2.6989	2.5520		2.0042
H5	1.0960	2.4949	2.3559	2.0042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.816	Br2	C1	F4	109.324
Br2	C1	H5	107.165	Cl3	C1	F4	109.700
Cl3	C1	H5	108.478	F4	C1	H5	110.325

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBE1PBE/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	0.079
2	Br	-0.022
3	Cl	-0.041
4	F	-0.146
5	H	0.131

	x	y	z	Total
	0.019	0.068	1.256	1.258
CHELPG
AIM
ESP

	x	y	z
x	7.427	-0.226	0.101
y	-0.226	4.569	0.342
z	0.101	0.342	3.641

<r²>	179.637
(<r²>)^1/2	13.403