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	hartrees
Energy at 0K	-3071.410562
Energy at 298.15K	-3071.415921
HF Energy	-3070.925525
Nuclear repulsion energy	220.173838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	2986	2.94
2	A'	1532	1416	0.07
3	A'	1329	1228	55.13
4	A'	814	752	86.73
5	A'	662	612	18.31
6	A'	242	224	0.23
7	A"	3311	3059	1.37
8	A"	1221	1128	0.01
9	A"	902	833	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.015	0.000
Br2	0.833	-0.716	0.000
Cl3	-1.752	0.936	0.000
H4	0.322	1.529	0.889
H5	0.322	1.529	-0.889

	C1	Br2	Cl3	H4	H5
C1		1.9211	1.7541	1.0759	1.0759
Br2	1.9211		3.0677	2.4680	2.4680
Cl3	1.7541	3.0677		2.3332	2.3332
H4	1.0759	2.4680	2.3332		1.7774
H5	1.0759	2.4680	2.3332	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.092	Br2	C1	H4	107.499
Br2	C1	H5	107.499	Cl3	C1	H4	108.695
Cl3	C1	H5	108.695	H4	C1	H5	111.392

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

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

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