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	hartrees
Energy at 0K	-3528.309038
Energy at 298.15K
HF Energy	-3527.471063
Nuclear repulsion energy	399.543502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	2.21
2	A'	1258	1258	27.03
3	A'	799	799	95.08
4	A'	646	646	5.43
5	A'	345	345	0.19
6	A'	235	235	0.26
7	A"	1287	1287	18.87
8	A"	822	822	111.86
9	A"	229	229	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.658	-0.118	0.000
H2	-1.571	0.456	0.000
Br3	0.797	1.092	0.000
Cl4	-0.658	-1.117	1.452
Cl5	-0.658	-1.117	-1.452

	C1	H2	Br3	Cl4	Cl5
C1		1.0789	1.8928	1.7622	1.7622
H2	1.0789		2.4524	2.3272	2.3272
Br3	1.8928	2.4524		3.0175	3.0175
Cl4	1.7622	2.3272	3.0175		2.9042
Cl5	1.7622	2.3272	3.0175	2.9042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.081	H2	C1	Cl4	107.551
H2	C1	Cl5	107.551	Br3	C1	Cl4	111.245
Br3	C1	Cl5	111.245	Cl4	C1	Cl5	110.980

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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