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	hartrees
Energy at 0K	-3530.412909
Energy at 298.15K
HF Energy	-3529.818365
Nuclear repulsion energy	392.785462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3052	0.03
2	A'	1224	1151	37.49
3	A'	762	717	108.68
4	A'	619	582	13.84
5	A'	338	318	0.26
6	A'	229	215	0.05
7	A"	1260	1185	21.48
8	A"	810	762	123.09
9	A"	222	209	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.138	0.000
H2	-1.587	0.459	0.000
Br3	0.814	1.118	0.000
Cl4	-0.673	-1.140	1.466
Cl5	-0.673	-1.140	-1.466

	C1	H2	Br3	Cl4	Cl5
C1		1.0922	1.9463	1.7758	1.7758
H2	1.0922		2.4899	2.3543	2.3543
Br3	1.9463	2.4899		3.0753	3.0753
Cl4	1.7758	2.3543	3.0753		2.9329
Cl5	1.7758	2.3543	3.0753	2.9329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.661	H2	C1	Cl4	107.962
H2	C1	Cl5	107.962	Br3	C1	Cl4	111.343
Br3	C1	Cl5	111.343	Cl4	C1	Cl5	111.338

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

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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