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	hartrees
Energy at 0K	-2811.909631
Energy at 298.15K
HF Energy	-2811.697704
Nuclear repulsion energy	256.729675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3168	3036	20.05	92.36	0.24	0.39
2	A'	1293	1239	102.96	3.09	0.58	0.74
3	A'	1124	1078	283.26	1.72	0.50	0.66
4	A'	708	678	124.40	11.86	0.29	0.45
5	A'	581	557	7.12	2.23	0.36	0.53
6	A'	317	304	0.70	5.38	0.35	0.52
7	A"	1379	1322	29.74	4.65	0.75	0.86
8	A"	1170	1122	214.12	2.48	0.75	0.86
9	A"	313	300	0.47	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.922	0.000
H2	-1.520	-0.981	0.000
Br3	0.077	0.968	0.000
F4	0.077	-1.521	1.090
F5	0.077	-1.521	-1.090

	C1	H2	Br3	F4	F5
C1		1.0963	1.9559	1.3415	1.3415
H2	1.0963		2.5199	2.0077	2.0077
Br3	1.9559	2.5199		2.7180	2.7180
F4	1.3415	2.0077	2.7180		2.1798
F5	1.3415	2.0077	2.7180	2.1798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.957	H2	C1	F4	110.482
H2	C1	F5	110.482	Br3	C1	F4	109.620
Br3	C1	F5	109.620	F4	C1	F5	108.670

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

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