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	hartrees
Energy at 0K	-3073.155659
Energy at 298.15K	-3073.160935
HF Energy	-3073.155659
Nuclear repulsion energy	219.123138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3136	2.68
2	A'	1450	1450	0.31
3	A'	1253	1253	45.05
4	A'	759	759	97.60
5	A'	621	621	30.73
6	A'	230	230	0.17
7	A"	3218	3218	1.55
8	A"	1156	1156	0.00
9	A"	860	860	2.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.834	-0.724	0.000
Cl3	-1.755	0.952	0.000
H4	0.328	1.529	0.898
H5	0.328	1.529	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9325	1.7563	1.0833	1.0833
Br2	1.9325		3.0840	2.4779	2.4779
Cl3	1.7563	3.0840		2.3406	2.3406
H4	1.0833	2.4779	2.3406		1.7952
H5	1.0833	2.4779	2.3406	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.366	Br2	C1	H4	107.108
Br2	C1	H5	107.108	Cl3	C1	H4	108.704
Cl3	C1	H5	108.704	H4	C1	H5	111.898

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.191
2	Br	-0.038
3	Cl	-0.160
4	H	0.194
5	H	0.194

	x	y	z	Total
	0.768	1.355	0.000	1.558
CHELPG
AIM
ESP

	x	y	z
x	8.477	-1.455	0.000
y	-1.455	7.549	0.000
z	0.000	0.000	5.876

<r²>	146.468
(<r²>)^1/2	12.102

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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