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	hartrees
Energy at 0K	-3527.741074
Energy at 298.15K	-3527.745589
HF Energy	-3527.276695
Nuclear repulsion energy	395.693052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3067	0.29
2	A'	1286	1188	41.07
3	A'	796	736	106.83
4	A'	639	590	18.09
5	A'	354	327	0.46
6	A'	239	221	0.06
7	A"	1349	1246	26.37
8	A"	860	794	121.52
9	A"	233	215	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.674	-0.140	0.000
H2	-1.569	0.462	0.000
Br3	0.815	1.105	0.000
Cl4	-0.674	-1.126	1.456
Cl5	-0.674	-1.126	-1.456

	C1	H2	Br3	Cl4	Cl5
C1		1.0791	1.9409	1.7582	1.7582
H2	1.0791		2.4694	2.3332	2.3332
Br3	1.9409	2.4694		3.0518	3.0518
Cl4	1.7582	2.3332	3.0518		2.9111
Cl5	1.7582	2.3332	3.0518	2.9111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.169	H2	C1	Cl4	108.250
H2	C1	Cl5	108.250	Br3	C1	Cl4	111.084
Br3	C1	Cl5	111.084	Cl4	C1	Cl5	111.762

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

using model chemistry: CID/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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CID/6-31G*

States and conformations

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