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	hartrees
Energy at 0K	-3071.492967
Energy at 298.15K	-3071.498262
HF Energy	-3070.954115
Nuclear repulsion energy	217.354633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3035	7.18
2	A'	1485	1417	0.91
3	A'	1309	1249	79.32
4	A'	772	737	85.73
5	A'	624	596	22.47
6	A'	231	220	0.27
7	A"	3265	3116	0.02
8	A"	1178	1125	0.01
9	A"	873	834	2.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.024	0.000
Br2	0.844	-0.727	0.000
Cl3	-1.777	0.954	0.000
H4	0.326	1.535	0.896
H5	0.326	1.535	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9437	1.7779	1.0818	1.0818
Br2	1.9437		3.1132	2.4873	2.4873
Cl3	1.7779	3.1132		2.3583	2.3583
H4	1.0818	2.4873	2.3583		1.7923
H5	1.0818	2.4873	2.3583	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.476	Br2	C1	H4	107.127
Br2	C1	H5	107.127	Cl3	C1	H4	108.649
Cl3	C1	H5	108.649	H4	C1	H5	111.863

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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