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	hartrees
Energy at 0K	-3070.526079
Energy at 298.15K
HF Energy	-3070.385361
Nuclear repulsion energy	217.346478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3179	5.23
2	A'	1491	1491	0.45
3	A'	1287	1287	64.73
4	A'	753	753	98.22
5	A'	612	612	33.48
6	A'	232	232	0.25
7	A"	3268	3268	0.01
8	A"	1181	1181	0.00
9	A"	870	870	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.030	0.000
Br2	0.842	-0.729	0.000
Cl3	-1.772	0.956	0.000
H4	0.331	1.538	0.898
H5	0.331	1.538	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9497	1.7735	1.0833	1.0833
Br2	1.9497		3.1095	2.4908	2.4908
Cl3	1.7735	3.1095		2.3594	2.3594
H4	1.0833	2.4908	2.3594		1.7956
H5	1.0833	2.4908	2.3594	1.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.184	Br2	C1	H4	106.919
Br2	C1	H5	106.919	Cl3	C1	H4	108.954
Cl3	C1	H5	108.954	H4	C1	H5	111.944

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH2BrCl (Methane, bromochloro-)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

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