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	hartrees
Energy at 0K	-3069.113811
Energy at 298.15K	-3069.119139
HF Energy	-3068.581724
Nuclear repulsion energy	220.118162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3014	2.75
2	A'	1494	1416	0.04
3	A'	1297	1229	47.13
4	A'	791	749	77.05
5	A'	661	626	11.71
6	A'	237	225	0.35
7	A"	3261	3089	0.56
8	A"	1188	1125	0.00
9	A"	881	835	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.012	0.000
Br2	0.842	-0.702	0.000
Cl3	-1.769	0.906	0.000
H4	0.308	1.544	0.894
H5	0.308	1.544	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9091	1.7724	1.0848	1.0848
Br2	1.9091		3.0663	2.4757	2.4757
Cl3	1.7724	3.0663		2.3494	2.3494
H4	1.0848	2.4757	2.3494		1.7871
H5	1.0848	2.4757	2.3494	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.737	Br2	C1	H4	108.401
Br2	C1	H5	108.401	Cl3	C1	H4	108.205
Cl3	C1	H5	108.205	H4	C1	H5	110.913

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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