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	hartrees
Energy at 0K	-3172.191700
Energy at 298.15K	-3172.196270
HF Energy	-3172.191700
Nuclear repulsion energy	317.733054

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	3083	3055	4.54	80.24	0.26	0.42
2	A	1283	1271	16.32	6.73	0.75	0.85
3	A	1174	1163	72.41	3.69	0.67	0.80
4	A	1065	1055	209.91	0.85	0.47	0.64
5	A	719	712	236.80	3.64	0.50	0.67
6	A	624	619	82.84	9.58	0.17	0.29
7	A	411	407	1.17	5.61	0.30	0.47
8	A	299	296	1.22	4.01	0.54	0.70
9	A	214	212	0.11	6.94	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.582	0.467	0.413
Br2	-1.221	-0.187	-0.028
Cl3	1.854	-0.689	-0.068
F4	0.789	1.653	-0.203
H5	0.620	0.590	1.499

	C1	Br2	Cl3	F4	H5
C1		1.9680	1.7857	1.3521	1.0944
Br2	1.9680		3.1167	2.7311	2.5153
Cl3	1.7857	3.1167		2.5768	2.3702
F4	1.3521	2.7311	2.5768		2.0143
H5	1.0944	2.5153	2.3702	2.0143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.168	Br2	C1	F4	109.284
Br2	C1	H5	106.955	Cl3	C1	F4	109.637
Cl3	C1	H5	108.369	F4	C1	H5	110.394

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBE/6-311G**

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	-0.076
2	Br	0.012
3	Cl	-0.011
4	F	-0.140
5	H	0.216

	x	y	z	Total
	-0.022	0.100	1.293	1.297
CHELPG
AIM
ESP

	x	y	z
x	8.269	-0.341	0.065
y	-0.341	4.936	0.382
z	0.065	0.382	3.788

<r²>	184.139
(<r²>)^1/2	13.570