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	hartrees
Energy at 0K	-3513.075420
Energy at 298.15K	-3513.079627
HF Energy	-3512.845853
Nuclear repulsion energy	378.181070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3125	0.57
2	A'	1224	1168	34.83
3	A'	700	668	105.65
4	A'	555	529	5.09
5	A'	296	282	0.29
6	A'	207	197	0.69
7	A"	1230	1174	18.61
8	A"	676	645	116.91
9	A"	203	194	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.680	-0.108	0.000
H2	-1.618	0.431	0.000
Br3	0.824	1.169	0.000
Cl4	-0.680	-1.197	1.535
Cl5	-0.680	-1.197	-1.535

	C1	H2	Br3	Cl4	Cl5
C1		1.0815	1.9724	1.8821	1.8821
H2	1.0815		2.5506	2.4260	2.4260
Br3	1.9724	2.5506		3.1958	3.1958
Cl4	1.8821	2.4260	3.1958		3.0696
Cl5	1.8821	2.4260	3.1958	3.0696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.804	H2	C1	Cl4	106.756
H2	C1	Cl5	106.756	Br3	C1	Cl4	111.994
Br3	C1	Cl5	111.994	Cl4	C1	Cl5	109.270

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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