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	hartrees
Energy at 0K	-3172.190176
Energy at 298.15K	-3172.194742
HF Energy	-3172.190176
Nuclear repulsion energy	317.743803

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	3086	3054	6.14	79.23	0.27	0.43
2	A	1297	1284	17.71	7.12	0.75	0.86
3	A	1193	1180	75.30	4.11	0.68	0.81
4	A	1066	1055	211.05	0.83	0.45	0.62
5	A	719	712	235.62	3.62	0.49	0.66
6	A	626	620	85.27	9.60	0.17	0.30
7	A	411	407	1.16	5.63	0.30	0.47
8	A	299	296	1.21	4.03	0.54	0.70
9	A	214	212	0.10	6.94	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.582	0.468	0.412
Br2	-1.221	-0.187	-0.028
Cl3	1.854	-0.690	-0.068
F4	0.790	1.653	-0.204
H5	0.622	0.596	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9682	1.7857	1.3515	1.0944
Br2	1.9682		3.1161	2.7313	2.5183
Cl3	1.7857	3.1161		2.5769	2.3714
F4	1.3515	2.7313	2.5769		2.0099
H5	1.0944	2.5183	2.3714	2.0099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.127	Br2	C1	F4	109.314
Br2	C1	H5	107.147	Cl3	C1	F4	109.677
Cl3	C1	H5	108.455	F4	C1	H5	110.080

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	-0.175
2	Br	0.023
3	Cl	-0.003
4	F	-0.139
5	H	0.293

	x	y	z	Total
	-0.022	0.104	1.294	1.299
CHELPG
AIM
ESP

	x	y	z
x	8.250	-0.343	0.063
y	-0.343	4.918	0.382
z	0.063	0.382	3.775

<r²>	184.126
(<r²>)^1/2	13.569