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	hartrees
Energy at 0K	-2807.802108
Energy at 298.15K	-2807.807064
HF Energy	-2807.198541
Nuclear repulsion energy	256.775478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3047	19.26
2	A'	1341	1277	115.89
3	A'	1151	1096	242.00
4	A'	722	688	110.43
5	A'	575	548	7.82
6	A'	320	305	0.08
7	A"	1422	1355	31.42
8	A"	1206	1148	178.83
9	A"	316	301	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.928	0.000
H2	-1.515	-0.988	0.000
Br3	0.077	0.971	0.000
F4	0.077	-1.523	1.095
F5	0.077	-1.523	-1.095

	C1	H2	Br3	F4	F5
C1		1.0919	1.9637	1.3435	1.3435
H2	1.0919		2.5245	2.0049	2.0049
Br3	1.9637	2.5245		2.7235	2.7235
F4	1.3435	2.0049	2.7235		2.1896
F5	1.3435	2.0049	2.7235	2.1896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.000	H2	C1	F4	110.393
H2	C1	F5	110.393	Br3	C1	F4	109.443
Br3	C1	F5	109.443	F4	C1	F5	109.149

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-)