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	hartrees
Energy at 0K	-3530.884906
Energy at 298.15K
HF Energy	-3529.943653
Nuclear repulsion energy	399.140516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3079	3.19
2	A'	1224	1164	29.61
3	A'	774	737	103.09
4	A'	635	604	9.18
5	A'	341	324	0.09
6	A'	230	218	0.04
7	A"	1258	1196	17.63
8	A"	811	772	115.50
9	A"	222	211	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.666	-0.125	0.000
H2	-1.563	0.467	0.000
Br3	0.806	1.093	0.000
Cl4	-0.666	-1.117	1.446
Cl5	-0.666	-1.117	-1.446

	C1	H2	Br3	Cl4	Cl5
C1		1.0752	1.9109	1.7532	1.7532
H2	1.0752		2.4508	2.3248	2.3248
Br3	1.9109	2.4508		3.0235	3.0235
Cl4	1.7532	2.3248	3.0235		2.8916
Cl5	1.7532	2.3248	3.0235	2.8916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.958	H2	C1	Cl4	108.159
H2	C1	Cl5	108.159	Br3	C1	Cl4	111.137
Br3	C1	Cl5	111.137	Cl4	C1	Cl5	111.110

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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=FULL/aug-cc-pVTZ

States and conformations

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