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	hartrees
Energy at 0K	-3039.466542
Energy at 298.15K
HF Energy	-3039.439374
Nuclear repulsion energy	214.701568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3366	0.05
2	A'	1621	1621	0.29
3	A'	1373	1373	49.26
4	A'	859	859	68.73
5	A'	711	711	11.37
6	A'	239	239	1.66
7	A"	3493	3493	0.04
8	A"	1255	1255	0.07
9	A"	908	908	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.007	0.000
Br2	0.878	-0.705	0.000
Cl3	-1.842	0.911	0.000
H4	0.285	1.577	0.904
H5	0.285	1.577	-0.904

	C1	Br2	Cl3	H4	H5
C1		1.9241	1.8445	1.1064	1.1064
Br2	1.9241		3.1643	2.5257	2.5257
Cl3	1.8445	3.1643		2.4051	2.4051
H4	1.1064	2.5257	2.4051		1.8082
H5	1.1064	2.5257	2.4051	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.194	Br2	C1	H4	109.959
Br2	C1	H5	109.959	Cl3	C1	H4	106.484
Cl3	C1	H5	106.484	H4	C1	H5	109.609

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

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