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	hartrees
Energy at 0K	-2810.357068
Energy at 298.15K
HF Energy	-2809.708495
Nuclear repulsion energy	257.713077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3038	22.19
2	A'	1330	1261	117.41
3	A'	1163	1103	273.44
4	A'	733	694	107.60
5	A'	594	563	7.49
6	A'	329	312	0.09
7	A"	1415	1341	38.85
8	A"	1221	1157	202.14
9	A"	323	306	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.916	0.000
H2	-1.519	-0.979	0.000
Br3	0.077	0.964	0.000
F4	0.077	-1.516	1.087
F5	0.077	-1.516	-1.087

	C1	H2	Br3	F4	F5
C1		1.0973	1.9454	1.3379	1.3379
H2	1.0973		2.5144	2.0031	2.0031
Br3	1.9454	2.5144		2.7075	2.7075
F4	1.3379	2.0031	2.7075		2.1731
F5	1.3379	2.0031	2.7075	2.1731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.199	H2	C1	F4	110.297
H2	C1	F5	110.297	Br3	C1	F4	109.714
Br3	C1	F5	109.714	F4	C1	F5	108.612

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

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

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