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	hartrees
Energy at 0K	-3071.060256
Energy at 298.15K	-3071.065493
HF Energy	-3071.060256
Nuclear repulsion energy	214.307448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	1.30
2	A'	1486	1486	0.18
3	A'	1297	1297	46.82
4	A'	711	711	104.72
5	A'	604	604	28.50
6	A'	224	224	0.50
7	A"	3295	3295	0.68
8	A"	1174	1174	0.00
9	A"	864	864	5.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.049	0.000
Br2	0.871	-0.713	0.000
Cl3	-1.828	0.913	0.000
H4	0.299	1.566	0.903
H5	0.299	1.566	-0.903

	C1	Br2	Cl3	H4	H5
C1		1.9656	1.8328	1.0824	1.0824
Br2	1.9656		3.1502	2.5167	2.5167
Cl3	1.8328	3.1502		2.4010	2.4010
H4	1.0824	2.5167	2.4010		1.8063
H5	1.0824	2.5167	2.4010	1.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.018	Br2	C1	H4	107.770
Br2	C1	H5	107.770	Cl3	C1	H4	108.123
Cl3	C1	H5	108.123	H4	C1	H5	113.107

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: M06-2X/6-31G

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	-0.678
2	Br	0.085
3	Cl	0.046
4	H	0.273
5	H	0.273

	x	y	z	Total
	1.266	1.695	0.000	2.115
CHELPG
AIM
ESP

	x	y	z
x	6.037	-1.700	0.000
y	-1.700	4.891	0.000
z	0.000	0.000	2.435

<r²>	152.217
(<r²>)^1/2	12.338

All results from a given calculation for CH2BrCl (Methane, bromochloro-)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)