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	hartrees
Energy at 0K	-3172.299398
Energy at 298.15K	-3172.303967
HF Energy	-3172.299398
Nuclear repulsion energy	318.798020

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	3070	3048	1.88	79.14	0.23	0.37
2	A	1271	1263	9.70	4.18	0.69	0.81
3	A	1164	1156	58.38	2.30	0.48	0.65
4	A	1056	1049	190.76	0.78	0.64	0.78
5	A	726	721	203.17	3.02	0.54	0.70
6	A	627	622	75.30	10.03	0.13	0.23
7	A	410	407	0.77	5.09	0.22	0.36
8	A	298	296	0.75	3.40	0.47	0.64
9	A	211	210	0.06	4.99	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.582	0.466	0.413
Br2	-1.215	-0.186	-0.028
Cl3	1.842	-0.692	-0.068
F4	0.790	1.653	-0.203
H5	0.618	0.592	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9617	1.7776	1.3531	1.0932
Br2	1.9617		3.0984	2.7267	2.5093
Cl3	1.7776	3.0984		2.5734	2.3657
F4	1.3531	2.7267	2.5734		2.0123
H5	1.0932	2.5093	2.3657	2.0123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.818	Br2	C1	F4	109.308
Br2	C1	H5	106.987	Cl3	C1	F4	109.828
Cl3	C1	H5	108.624	F4	C1	H5	110.234

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: PBEPBE/cc-pVTZ

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	0.134
2	Br	-0.053
3	Cl	-0.071
4	F	-0.116
5	H	0.106

	x	y	z	Total
	0.117	0.083	1.160	1.169
CHELPG
AIM
ESP

	x	y	z
x	8.959	-0.236	0.082
y	-0.236	5.874	0.290
z	0.082	0.290	4.863

<r²>	182.622
(<r²>)^1/2	13.514