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	hartrees
Energy at 0K	-3530.308691
Energy at 298.15K
HF Energy	-3529.818571
Nuclear repulsion energy	394.500597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3045	0.07
2	A'	1257	1161	41.42
3	A'	789	729	116.24
4	A'	636	588	13.10
5	A'	347	321	0.27
6	A'	235	217	0.07
7	A"	1292	1194	23.58
8	A"	837	774	128.86
9	A"	228	211	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.137	0.000
H2	-1.581	0.456	0.000
Br3	0.809	1.113	0.000
Cl4	-0.669	-1.135	1.461
Cl5	-0.669	-1.135	-1.461

	C1	H2	Br3	Cl4	Cl5
C1		1.0881	1.9360	1.7692	1.7692
H2	1.0881		2.4794	2.3446	2.3446
Br3	1.9360	2.4794		3.0619	3.0619
Cl4	1.7692	2.3446	3.0619		2.9211
Cl5	1.7692	2.3446	3.0619	2.9211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.769	H2	C1	Cl4	107.898
H2	C1	Cl5	107.898	Br3	C1	Cl4	111.378
Br3	C1	Cl5	111.378	Cl4	C1	Cl5	111.287

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

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

States and conformations

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