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	hartrees
Energy at 0K	-2810.713126
Energy at 298.15K
HF Energy	-2809.820104
Nuclear repulsion energy	257.931819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3031	13.26
2	A'	1359	1288	117.56
3	A'	1150	1089	276.95
4	A'	735	696	111.08
5	A'	598	567	6.99
6	A'	331	314	0.06
7	A"	1427	1352	23.03
8	A"	1187	1124	222.22
9	A"	322	306	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.912	0.000
H2	-1.505	-0.986	0.000
Br3	0.076	0.965	0.000
F4	0.076	-1.517	1.084
F5	0.076	-1.517	-1.084

	C1	H2	Br3	F4	F5
C1		1.0848	1.9422	1.3377	1.3377
H2	1.0848		2.5112	1.9895	1.9895
Br3	1.9422	2.5112		2.7076	2.7076
F4	1.3377	1.9895	2.7076		2.1679
F5	1.3377	1.9895	2.7076	2.1679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.786	H2	C1	F4	109.983
H2	C1	F5	109.983	Br3	C1	F4	109.911
Br3	C1	F5	109.911	F4	C1	F5	108.260

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: CCSD=FULL/TZVP

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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All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)