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	hartrees
Energy at 0K	-3071.638489
Energy at 298.15K	-3071.643803
HF Energy	-3071.020305
Nuclear repulsion energy	219.195409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2953	4.76
2	A'	1482	1383	0.00
3	A'	1284	1199	52.70
4	A'	785	733	80.89
5	A'	645	602	16.35
6	A'	233	218	0.27
7	A"	3240	3026	0.15
8	A"	1178	1100	0.01
9	A"	873	815	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.839	-0.715	0.000
Cl3	-1.766	0.932	0.000
H4	0.320	1.536	0.893
H5	0.320	1.536	-0.893

	C1	Br2	Cl3	H4	H5
C1		1.9255	1.7679	1.0810	1.0810
Br2	1.9255		3.0821	2.4765	2.4765
Cl3	1.7679	3.0821		2.3479	2.3479
H4	1.0810	2.4765	2.3479		1.7869
H5	1.0810	2.4765	2.3479	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.056	Br2	C1	H4	107.580
Br2	C1	H5	107.580	Cl3	C1	H4	108.589
Cl3	C1	H5	108.589	H4	C1	H5	111.487

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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