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	hartrees
Energy at 0K	-3039.466552
Energy at 298.15K	-3039.471802
HF Energy	-3039.439386
Nuclear repulsion energy	214.721094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	3367	0.05
2	A'	1621	1621	0.28
3	A'	1373	1373	49.11
4	A'	858	858	68.70
5	A'	708	708	11.54
6	A'	239	239	1.65
7	A"	3494	3494	0.04
8	A"	1255	1255	0.07
9	A"	909	909	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		1.9238	1.8445	1.1064	1.1064
Br2	1.9238		3.1640	2.5256	2.5256
Cl3	1.8445	3.1640		2.4050	2.4050
H4	1.1064	2.5256	2.4050		1.8084
H5	1.1064	2.5256	2.4050	1.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.185	Br2	C1	H4	109.961
Br2	C1	H5	109.961	Cl3	C1	H4	106.479
Cl3	C1	H5	106.479	H4	C1	H5	109.622

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

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

States and conformations

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