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	hartrees
Energy at 0K	-3530.919003
Energy at 298.15K	-3530.923202
HF Energy	-3530.919003
Nuclear repulsion energy	389.194868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3086	0.57
2	A'	1147	1141	31.25
3	A'	652	649	129.28
4	A'	576	573	31.18
5	A'	310	308	0.10
6	A'	208	206	0.04
7	A"	1177	1170	20.44
8	A"	667	663	164.80
9	A"	203	202	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.670	-0.134	0.000
H2	-1.596	0.442	0.000
Br3	0.812	1.130	0.000
Cl4	-0.670	-1.153	1.488
Cl5	-0.670	-1.153	-1.488

	C1	H2	Br3	Cl4	Cl5
C1		1.0906	1.9485	1.8030	1.8030
H2	1.0906		2.5041	2.3697	2.3697
Br3	1.9485	2.5041		3.1021	3.1021
Cl4	1.8030	2.3697	3.1021		2.9757
Cl5	1.8030	2.3697	3.1021	2.9757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.590	H2	C1	Cl4	107.385
H2	C1	Cl5	107.385	Br3	C1	Cl4	111.506
Br3	C1	Cl5	111.506	Cl4	C1	Cl5	111.221

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

using model chemistry: BLYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.121
2	H	0.196
3	Br	0.076
4	Cl	-0.076
5	Cl	-0.076

	x	y	z	Total
	-0.763	0.723	0.000	1.050
CHELPG
AIM
ESP

	x	y	z
x	7.157	1.848	0.000
y	1.848	8.721	0.000
z	0.000	0.000	9.069

<r²>	239.415
(<r²>)^1/2	15.473

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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