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	hartrees
Energy at 0K	-2810.478215
Energy at 298.15K	-2810.483159
HF Energy	-2809.730201
Nuclear repulsion energy	256.506398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3163	3072
2	A'	1292	1255
3	A'	1084	1053
4	A'	717	696
5	A'	558	542
6	A'	324	315
7	A"	1344	1305
8	A"	1109	1077
9	A"	315	306

Atom	x (Å)	y (Å)	z (Å)
C1	-0.435	-0.904	0.000
H2	-1.530	-0.988	0.000
Br3	0.078	0.964	0.000
F4	0.078	-1.519	1.100
F5	0.078	-1.519	-1.100

	C1	H2	Br3	F4	F5
C1		1.0984	1.9377	1.3607	1.3607
H2	1.0984		2.5294	2.0198	2.0198
Br3	1.9377	2.5294		2.7162	2.7162
F4	1.3607	2.0198	2.7162		2.1998
F5	1.3607	2.0198	2.7162	2.1998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.728	H2	C1	F4	109.985
H2	C1	F5	109.985	Br3	C1	F4	109.626
Br3	C1	F5	109.626	F4	C1	F5	107.864

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

using model chemistry: CCSD(T)=FULL/aug-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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All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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