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	hartrees
Energy at 0K	-3513.772458
Energy at 298.15K	-3513.776835
HF Energy	-3513.280212
Nuclear repulsion energy	391.922251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3069	0.66
2	A'	1254	1193	30.01
3	A'	724	689	113.72
4	A'	620	590	7.41
5	A'	330	314	0.24
6	A'	228	217	0.16
7	A"	1303	1239	17.00
8	A"	729	694	126.24
9	A"	220	210	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.690	-0.113	0.000
H2	-1.590	0.492	0.000
Br3	0.834	1.100	0.000
Cl4	-0.690	-1.127	1.475
Cl5	-0.690	-1.127	-1.475

	C1	H2	Br3	Cl4	Cl5
C1		1.0847	1.9478	1.7898	1.7898
H2	1.0847		2.4993	2.3678	2.3678
Br3	1.9478	2.4993		3.0751	3.0751
Cl4	1.7898	2.3678	3.0751		2.9503
Cl5	1.7898	2.3678	3.0751	2.9503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.575	H2	C1	Cl4	108.415
H2	C1	Cl5	108.415	Br3	C1	Cl4	110.651
Br3	C1	Cl5	110.651	Cl4	C1	Cl5	111.016

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-)