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	hartrees
Energy at 0K	-3068.829676
Energy at 298.15K	-3068.834985
HF Energy	-3068.410412
Nuclear repulsion energy	217.819507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3022	5.24
2	A'	1511	1424	0.76
3	A'	1329	1253	74.32
4	A'	794	749	80.56
5	A'	626	590	22.45
6	A'	233	219	0.29
7	A"	3293	3103	0.17
8	A"	1200	1131	0.00
9	A"	895	843	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.026	0.000
Br2	0.838	-0.730	0.000
Cl3	-1.765	0.961	0.000
H4	0.334	1.535	0.895
H5	0.334	1.535	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9457	1.7659	1.0827	1.0827
Br2	1.9457		3.1039	2.4870	2.4870
Cl3	1.7659	3.1039		2.3529	2.3529
H4	1.0827	2.4870	2.3529		1.7907
H5	1.0827	2.4870	2.3529	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.408	Br2	C1	H4	106.931
Br2	C1	H5	106.931	Cl3	C1	H4	109.008
Cl3	C1	H5	109.008	H4	C1	H5	111.574

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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