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	hartrees
Energy at 0K	-3513.807524
Energy at 298.15K	-3513.811901
HF Energy	-3513.280067
Nuclear repulsion energy	391.303212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3058	0.17
2	A'	1252	1198	26.41
3	A'	730	699	91.46
4	A'	615	588	6.13
5	A'	329	314	0.28
6	A'	227	217	0.25
7	A"	1298	1241	15.40
8	A"	741	708	103.83
9	A"	219	210	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.690	-0.115	0.000
H2	-1.593	0.490	0.000
Br3	0.834	1.103	0.000
Cl4	-0.690	-1.130	1.477
Cl5	-0.690	-1.130	-1.477

	C1	H2	Br3	Cl4	Cl5
C1		1.0866	1.9517	1.7915	1.7915
H2	1.0866		2.5038	2.3701	2.3701
Br3	1.9517	2.5038		3.0806	3.0806
Cl4	1.7915	2.3701	3.0806		2.9533
Cl5	1.7915	2.3701	3.0806	2.9533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.553	H2	C1	Cl4	108.369
H2	C1	Cl5	108.369	Br3	C1	Cl4	110.700
Br3	C1	Cl5	110.700	Cl4	C1	Cl5	111.027

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: CCD/3-21G*

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)