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	hartrees
Energy at 0K	-2810.351193
Energy at 298.15K
HF Energy	-2809.734502
Nuclear repulsion energy	259.247806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3277	6.41
2	A'	1360	1360	93.96
3	A'	1156	1156	264.89
4	A'	760	760	108.90
5	A'	592	592	5.20
6	A'	344	344	0.25
7	A"	1417	1417	12.15
8	A"	1190	1190	211.19
9	A"	332	332	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.428	-0.899	0.000
H2	-1.513	-0.978	0.000
Br3	0.077	0.955	0.000
F4	0.077	-1.504	1.086
F5	0.077	-1.504	-1.086

	C1	H2	Br3	F4	F5
C1		1.0885	1.9218	1.3418	1.3418
H2	1.0885		2.5035	1.9964	1.9964
Br3	1.9218	2.5035		2.6883	2.6883
F4	1.3418	1.9964	2.6883		2.1723
F5	1.3418	1.9964	2.6883	2.1723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.394	H2	C1	F4	110.027
H2	C1	F5	110.027	Br3	C1	F4	109.642
Br3	C1	F5	109.642	F4	C1	F5	108.092

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

using model chemistry: CISD/daug-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: CISD/daug-cc-pVDZ

States and conformations

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