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	hartrees
Energy at 0K	-3071.705009
Energy at 298.15K	-3071.710323
HF Energy	-3071.020299
Nuclear repulsion energy	220.307142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3019	3.81
2	A'	1478	1404	0.01
3	A'	1270	1206	48.89
4	A'	787	747	86.04
5	A'	648	616	18.78
6	A'	234	222	0.23
7	A"	3244	3080	0.68
8	A"	1176	1117	0.01
9	A"	868	824	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.014	0.000
Br2	0.835	-0.711	0.000
Cl3	-1.756	0.927	0.000
H4	0.319	1.528	0.892
H5	0.319	1.528	-0.892

	C1	Br2	Cl3	H4	H5
C1		1.9166	1.7585	1.0774	1.0774
Br2	1.9166		3.0655	2.4646	2.4646
Cl3	1.7585	3.0655		2.3374	2.3374
H4	1.0774	2.4646	2.3374		1.7832
H5	1.0774	2.4646	2.3374	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.981	Br2	C1	H4	107.476
Br2	C1	H5	107.476	Cl3	C1	H4	108.627
Cl3	C1	H5	108.627	H4	C1	H5	111.699

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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