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	hartrees
Energy at 0K	-3071.636715
Energy at 298.15K	-3071.642018
HF Energy	-3070.967091
Nuclear repulsion energy	219.204092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3163	4.61
2	A'	1481	1481	0.02
3	A'	1283	1283	53.40
4	A'	779	779	82.88
5	A'	641	641	18.04
6	A'	233	233	0.24
7	A"	3242	3242	0.19
8	A"	1176	1176	0.01
9	A"	872	872	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.837	-0.717	0.000
Cl3	-1.762	0.936	0.000
H4	0.323	1.534	0.894
H5	0.323	1.534	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9289	1.7641	1.0806	1.0806
Br2	1.9289		3.0810	2.4766	2.4766
Cl3	1.7641	3.0810		2.3461	2.3461
H4	1.0806	2.4766	2.3461		1.7880
H5	1.0806	2.4766	2.3461	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.010	Br2	C1	H4	107.377
Br2	C1	H5	107.377	Cl3	C1	H4	108.736
Cl3	C1	H5	108.736	H4	C1	H5	111.643

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

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

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