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	hartrees
Energy at 0K	-2807.375922
Energy at 298.15K	-2807.380726
HF Energy	-2806.983066
Nuclear repulsion energy	249.565244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3079	14.18
2	A'	1303	1256	98.68
3	A'	1047	1009	192.53
4	A'	663	639	99.61
5	A'	509	490	13.07
6	A'	294	283	0.26
7	A"	1351	1302	21.38
8	A"	1111	1071	153.00
9	A"	295	284	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.450	-0.930	0.000
H2	-1.536	-1.010	0.000
Br3	0.080	0.990	0.000
F4	0.080	-1.559	1.137
F5	0.080	-1.559	-1.137

	C1	H2	Br3	F4	F5
C1		1.0897	1.9914	1.4035	1.4035
H2	1.0897		2.5713	2.0511	2.0511
Br3	1.9914	2.5713		2.7913	2.7913
F4	1.4035	2.0511	2.7913		2.2744
F5	1.4035	2.0511	2.7913	2.2744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.637	H2	C1	F4	110.074
H2	C1	F5	110.074	Br3	C1	F4	109.393
Br3	C1	F5	109.393	F4	C1	F5	108.246

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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