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	hartrees
Energy at 0K	-2807.334917
Energy at 298.15K	-2807.339797
HF Energy	-2806.984948
Nuclear repulsion energy	251.792600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3076	12.46
2	A'	1344	1260	107.69
3	A'	1089	1021	214.29
4	A'	693	650	108.69
5	A'	528	495	13.85
6	A'	308	289	0.43
7	A"	1392	1305	23.65
8	A"	1152	1081	165.30
9	A"	307	288	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.446	-0.920	0.000
H2	-1.525	-1.001	0.000
Br3	0.079	0.981	0.000
F4	0.079	-1.546	1.127
F5	0.079	-1.546	-1.127

	C1	H2	Br3	F4	F5
C1		1.0827	1.9719	1.3921	1.3921
H2	1.0827		2.5501	2.0351	2.0351
Br3	1.9719	2.5501		2.7667	2.7667
F4	1.3921	2.0351	2.7667		2.2546
F5	1.3921	2.0351	2.7667	2.2546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.745	H2	C1	F4	110.005
H2	C1	F5	110.005	Br3	C1	F4	109.454
Br3	C1	F5	109.454	F4	C1	F5	108.153

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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