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	hartrees
Energy at 0K	-3071.340399
Energy at 298.15K	-3071.345701
HF Energy	-3070.905308
Nuclear repulsion energy	217.565279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3007	9.04
2	A'	1489	1425	0.32
3	A'	1318	1262	62.89
4	A'	776	743	91.59
5	A'	626	599	21.74
6	A'	235	225	0.17
7	A"	3219	3082	0.29
8	A"	1204	1153	0.06
9	A"	881	844	5.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.024	0.000
Br2	0.841	-0.728	0.000
Cl3	-1.771	0.956	0.000
H4	0.328	1.542	0.898
H5	0.328	1.542	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9436	1.7723	1.0872	1.0872
Br2	1.9436		3.1078	2.4945	2.4945
Cl3	1.7723	3.1078		2.3569	2.3569
H4	1.0872	2.4945	2.3569		1.7959
H5	1.0872	2.4945	2.3569	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.437	Br2	C1	H4	107.390
Br2	C1	H5	107.390	Cl3	C1	H4	108.643
Cl3	C1	H5	108.643	H4	C1	H5	111.372

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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