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	hartrees
Energy at 0K	-3530.612824
Energy at 298.15K
HF Energy	-3529.942000
Nuclear repulsion energy	398.066603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3070	1.19
2	A'	1278	1184	37.27
3	A'	806	747	108.71
4	A'	649	601	9.61
5	A'	350	324	0.22
6	A'	236	219	0.12
7	A"	1312	1215	20.85
8	A"	849	786	119.67
9	A"	228	212	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.661	-0.135	0.000
H2	-1.562	0.446	0.000
Br3	0.800	1.104	0.000
Cl4	-0.661	-1.126	1.449
Cl5	-0.661	-1.126	-1.449

	C1	H2	Br3	Cl4	Cl5
C1		1.0714	1.9161	1.7553	1.7553
H2	1.0714		2.4522	2.3195	2.3195
Br3	1.9161	2.4522		3.0347	3.0347
Cl4	1.7553	2.3195	3.0347		2.8971
Cl5	1.7553	2.3195	3.0347	2.8971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.905	H2	C1	Cl4	107.821
H2	C1	Cl5	107.821	Br3	C1	Cl4	111.419
Br3	C1	Cl5	111.419	Cl4	C1	Cl5	111.225

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

using model chemistry: CID/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: CID/cc-pVTZ

States and conformations

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