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	hartrees
Energy at 0K	-3068.833089
Energy at 298.15K	-3068.838384
HF Energy	-3068.410342
Nuclear repulsion energy	217.460429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3023	5.52
2	A'	1505	1423	0.85
3	A'	1320	1248	77.15
4	A'	781	738	87.01
5	A'	617	583	25.89
6	A'	231	218	0.27
7	A"	3284	3104	0.15
8	A"	1192	1127	0.01
9	A"	892	843	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.028	0.000
Br2	0.839	-0.732	0.000
Cl3	-1.767	0.963	0.000
H4	0.334	1.536	0.897
H5	0.334	1.536	-0.897

	C1	Br2	Cl3	H4	H5
C1		1.9498	1.7685	1.0832	1.0832
Br2	1.9498		3.1090	2.4900	2.4900
Cl3	1.7685	3.1090		2.3557	2.3557
H4	1.0832	2.4900	2.3557		1.7931
H5	1.0832	2.4900	2.3557	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.378	Br2	C1	H4	106.862
Br2	C1	H5	106.862	Cl3	C1	H4	109.017
Cl3	C1	H5	109.017	H4	C1	H5	111.727

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

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

States and conformations

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