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	hartrees
Energy at 0K	-2811.139283
Energy at 298.15K
HF Energy	-2809.778790
Nuclear repulsion energy	259.074034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3159	3159
2	A'	1324	1324
3	A'	1129	1129
4	A'	734	734
5	A'	586	586
6	A'	332	332
7	A"	1387	1387
8	A"	1160	1160
9	A"	320	320

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.906	0.000
H2	-1.508	-0.978	0.000
Br3	0.076	0.958	0.000
F4	0.076	-1.507	1.083
F5	0.076	-1.507	-1.083

	C1	H2	Br3	F4	F5
C1		1.0867	1.9300	1.3359	1.3359
H2	1.0867		2.5019	1.9909	1.9909
Br3	1.9300	2.5019		2.6927	2.6927
F4	1.3359	1.9909	2.6927		2.1656
F5	1.3359	1.9909	2.6927	2.1656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.831	H2	C1	F4	110.114
H2	C1	F5	110.114	Br3	C1	F4	109.736
Br3	C1	F5	109.736	F4	C1	F5	108.303

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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: QCISD(T)=FULL/6-311+G(3df,2p)

States and conformations

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