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	hartrees
Energy at 0K	-3071.659906
Energy at 298.15K	-3071.665217
HF Energy	-3071.021604
Nuclear repulsion energy	219.317940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3018	3.36
2	A'	1487	1421	0.02
3	A'	1284	1227	50.91
4	A'	775	741	82.82
5	A'	643	614	17.00
6	A'	233	222	0.24
7	A"	3235	3092	0.90
8	A"	1179	1127	0.01
9	A"	878	839	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.840	-0.712	0.000
Cl3	-1.767	0.925	0.000
H4	0.317	1.536	0.896
H5	0.317	1.536	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9249	1.7692	1.0815	1.0815
Br2	1.9249		3.0781	2.4758	2.4758
Cl3	1.7692	3.0781		2.3490	2.3490
H4	1.0815	2.4758	2.3490		1.7920
H5	1.0815	2.4758	2.3490	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.799	Br2	C1	H4	107.542
Br2	C1	H5	107.542	Cl3	C1	H4	108.562
Cl3	C1	H5	108.562	H4	C1	H5	111.884

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

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