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	hartrees
Energy at 0K	-3056.336867
Energy at 298.15K	-3056.342073
HF Energy	-3056.151614
Nuclear repulsion energy	210.590096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	2999	2.79
2	A'	1522	1418	0.32
3	A'	1297	1208	51.89
4	A'	683	636	82.22
5	A'	593	552	8.37
6	A'	215	200	0.59
7	A"	3308	3081	0.00
8	A"	1176	1096	0.03
9	A"	849	791	4.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.054	0.000
Br2	0.899	-0.712	0.000
Cl3	-1.883	0.906	0.000
H4	0.267	1.587	0.903
H5	0.267	1.587	-0.903

	C1	Br2	Cl3	H4	H5
C1		1.9813	1.8888	1.0823	1.0823
Br2	1.9813		3.2185	2.5489	2.5489
Cl3	1.8888	3.2185		2.4297	2.4297
H4	1.0823	2.5489	2.4297		1.8069
H5	1.0823	2.5489	2.4297	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.512	Br2	C1	H4	109.052
Br2	C1	H5	109.052	Cl3	C1	H4	106.543
Cl3	C1	H5	106.543	H4	C1	H5	113.172

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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