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	hartrees
Energy at 0K	-3068.814951
Energy at 298.15K	-3068.820250
HF Energy	-3068.395228
Nuclear repulsion energy	217.542759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3017	7.00
2	A'	1515	1426	0.91
3	A'	1311	1234	66.57
4	A'	785	739	80.29
5	A'	619	582	25.91
6	A'	235	222	0.28
7	A"	3292	3099	0.13
8	A"	1202	1131	0.00
9	A"	881	829	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.033	0.000
Br2	0.839	-0.730	0.000
Cl3	-1.766	0.958	0.000
H4	0.335	1.541	0.896
H5	0.335	1.541	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9529	1.7675	1.0826	1.0826
Br2	1.9529		3.1037	2.4929	2.4929
Cl3	1.7675	3.1037		2.3567	2.3567
H4	1.0826	2.4929	2.3567		1.7918
H5	1.0826	2.4929	2.3567	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.981	Br2	C1	H4	106.892
Br2	C1	H5	106.892	Cl3	C1	H4	109.194
Cl3	C1	H5	109.194	H4	C1	H5	111.697

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

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

States and conformations

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