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	hartrees
Energy at 0K	-2810.627317
Energy at 298.15K
HF Energy	-2809.779084
Nuclear repulsion energy	259.321605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	2995	7.05
2	A'	1341	1265	84.43
3	A'	1152	1087	255.99
4	A'	744	701	104.30
5	A'	595	561	5.18
6	A'	335	316	0.13
7	A"	1407	1327	11.77
8	A"	1186	1118	200.80
9	A"	323	305	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.906	0.000
H2	-1.507	-0.981	0.000
Br3	0.076	0.958	0.000
F4	0.076	-1.507	1.080
F5	0.076	-1.507	-1.080

	C1	H2	Br3	F4	F5
C1		1.0859	1.9300	1.3327	1.3327
H2	1.0859		2.5030	1.9869	1.9869
Br3	1.9300	2.5030		2.6909	2.6909
F4	1.3327	1.9869	2.6909		2.1595
F5	1.3327	1.9869	2.6909	2.1595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.947	H2	C1	F4	110.055
H2	C1	F5	110.055	Br3	C1	F4	109.772
Br3	C1	F5	109.772	F4	C1	F5	108.229

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

using model chemistry: CCSD/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: CCSD/6-311+G(3df,2p)

States and conformations

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