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	hartrees
Energy at 0K	-3070.277324
Energy at 298.15K	-3070.282505
HF Energy	-3070.217854
Nuclear repulsion energy	211.780879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3202	3.57
2	A'	1492	1492	0.06
3	A'	1288	1288	55.01
4	A'	664	664	105.00
5	A'	572	572	28.75
6	A'	216	216	0.38
7	A"	3305	3305	0.00
8	A"	1162	1162	0.01
9	A"	860	860	5.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.058	0.000
Br2	0.883	-0.721	0.000
Cl3	-1.853	0.927	0.000
H4	0.294	1.573	0.906
H5	0.294	1.573	-0.906

	C1	Br2	Cl3	H4	H5
C1		1.9863	1.8575	1.0829	1.0829
Br2	1.9863		3.1942	2.5364	2.5364
Cl3	1.8575	3.1942		2.4183	2.4183
H4	1.0829	2.5364	2.4183		1.8112
H5	1.0829	2.5364	2.4183	1.8112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.361	Br2	C1	H4	107.807
Br2	C1	H5	107.807	Cl3	C1	H4	107.730
Cl3	C1	H5	107.730	H4	C1	H5	113.500

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

using model chemistry: B2PLYP/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	-0.601
2	Br	0.078
3	Cl	0.020
4	H	0.251
5	H	0.251

	x	y	z	Total
	1.350	1.551	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	6.209	-1.807	0.000
y	-1.807	4.963	0.000
z	0.000	0.000	2.421

<r²>	155.642
(<r²>)^1/2	12.476

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

using model chemistry: B2PLYP/6-31G

States and conformations

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