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	hartrees
Energy at 0K	-3071.656520
Energy at 298.15K	-3071.661839
HF Energy	-3071.021605
Nuclear repulsion energy	219.494508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3026	3.16
2	A'	1490	1426	0.04
3	A'	1290	1234	49.76
4	A'	784	750	79.94
5	A'	647	619	15.64
6	A'	234	224	0.25
7	A"	3239	3100	1.01
8	A"	1184	1133	0.01
9	A"	880	842	1.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.839	-0.712	0.000
Cl3	-1.765	0.925	0.000
H4	0.318	1.535	0.895
H5	0.318	1.535	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9232	1.7675	1.0814	1.0814
Br2	1.9232		3.0756	2.4745	2.4745
Cl3	1.7675	3.0756		2.3477	2.3477
H4	1.0814	2.4745	2.3477		1.7906
H5	1.0814	2.4745	2.3477	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.820	Br2	C1	H4	107.562
Br2	C1	H5	107.562	Cl3	C1	H4	108.583
Cl3	C1	H5	108.583	H4	C1	H5	111.778

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

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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