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	hartrees
Energy at 0K	-47.132360
Energy at 298.15K	-47.139330
HF Energy	-46.948821
Nuclear repulsion energy	52.971066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3097	2.00
2	A'	1209	1168	33.68
3	A'	699	675	100.43
4	A'	536	518	4.78
5	A'	267	258	0.01
6	A'	164	158	0.00
7	A"	1193	1153	54.75
8	A"	652	630	109.97
9	A"	192	185	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.603	0.000
H2	-1.179	1.189	0.000
Cl3	1.167	1.833	0.000
Br4	-0.245	-0.514	1.667
Br5	-0.245	-0.514	-1.667

	C1	H2	Cl3	Br4	Br5
C1		1.1019	1.8726	2.0066	2.0066
H2	1.1019		2.4320	2.5592	2.5592
Cl3	1.8726	2.4320		3.2062	3.2062
Br4	2.0066	2.5592	3.2062		3.3343
Br5	2.0066	2.5592	3.2062	3.3343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	106.816	H2	C1	Br4	107.213
H2	C1	Br5	107.213	Cl3	C1	Br4	111.442
Cl3	C1	Br5	111.442	Br4	C1	Br5	112.369

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: MP2/CEP-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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)