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	hartrees
Energy at 0K	-3530.615140
Energy at 298.15K
HF Energy	-3529.942010
Nuclear repulsion energy	397.966875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3079	1.14
2	A'	1277	1187	37.53
3	A'	804	748	109.58
4	A'	648	603	9.76
5	A'	350	325	0.22
6	A'	236	219	0.11
7	A"	1310	1218	20.97
8	A"	847	787	120.46
9	A"	228	212	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.662	-0.134	0.000
H2	-1.562	0.446	0.000
Br3	0.801	1.104	0.000
Cl4	-0.662	-1.126	1.449
Cl5	-0.662	-1.126	-1.449

	C1	H2	Br3	Cl4	Cl5
C1		1.0715	1.9166	1.7558	1.7558
H2	1.0715		2.4528	2.3202	2.3202
Br3	1.9166	2.4528		3.0354	3.0354
Cl4	1.7558	2.3202	3.0354		2.8979
Cl5	1.7558	2.3202	3.0354	2.8979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.907	H2	C1	Cl4	107.829
H2	C1	Cl5	107.829	Br3	C1	Cl4	111.411
Br3	C1	Cl5	111.411	Cl4	C1	Cl5	111.222

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

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

States and conformations

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