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	hartrees
Energy at 0K	-3070.526069
Energy at 298.15K	-3070.531338
HF Energy	-3070.385351
Nuclear repulsion energy	217.336433

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	64.63
4	A'	752	752	97.81
5	A'	610	610	34.00
6	A'	232	232	0.25
7	A"	3269	3269	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		1.9498	1.7735	1.0833	1.0833
Br2	1.9498		3.1096	2.4909	2.4909
Cl3	1.7735	3.1096		2.3594	2.3594
H4	1.0833	2.4909	2.3594		1.7957
H5	1.0833	2.4909	2.3594	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.184	Br2	C1	H4	106.918
Br2	C1	H5	106.918	Cl3	C1	H4	108.951
Cl3	C1	H5	108.951	H4	C1	H5	111.950

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

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

States and conformations

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