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	hartrees
Energy at 0K	-2810.773348
Energy at 298.15K	-2810.778371
HF Energy	-2809.870855
Nuclear repulsion energy	259.295915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	2994	12.45
2	A'	1339	1260	95.45
3	A'	1160	1092	260.07
4	A'	741	698	104.86
5	A'	597	562	5.99
6	A'	334	314	0.08
7	A"	1410	1327	18.49
8	A"	1203	1133	199.73
9	A"	323	304	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.419	-0.913	0.000
H2	-1.501	-0.975	0.000
Br3	0.076	0.960	0.000
F4	0.076	-1.508	1.082
F5	0.076	-1.508	-1.082

	C1	H2	Br3	F4	F5
C1		1.0846	1.9366	1.3306	1.3306
H2	1.0846		2.4960	1.9858	1.9858
Br3	1.9366	2.4960		2.6946	2.6946
F4	1.3306	1.9858	2.6946		2.1650
F5	1.3306	1.9858	2.6946	2.1650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.075	H2	C1	F4	110.201
H2	C1	F5	110.201	Br3	C1	F4	109.732
Br3	C1	F5	109.732	F4	C1	F5	108.890

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

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

using model chemistry: CCSD/cc-pVTZ

States and conformations

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