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	hartrees
Energy at 0K	-3071.508857
Energy at 298.15K	-3071.514127
HF Energy	-3070.953967
Nuclear repulsion energy	216.732107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3038
2	A'	1470	1414
3	A'	1293	1245
4	A'	754	726
5	A'	611	589
6	A'	227	219
7	A"	3242	3121
8	A"	1162	1119
9	A"	863	830

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.027	0.000
Br2	0.847	-0.729	0.000
Cl3	-1.781	0.958	0.000
H4	0.327	1.537	0.899
H5	0.327	1.537	-0.899

	C1	Br2	Cl3	H4	H5
C1		1.9496	1.7827	1.0837	1.0837
Br2	1.9496		3.1228	2.4923	2.4923
Cl3	1.7827	3.1228		2.3641	2.3641
H4	1.0837	2.4923	2.3641		1.7972
H5	1.0837	2.4923	2.3641	1.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.509	Br2	C1	H4	107.013
Br2	C1	H5	107.013	Cl3	C1	H4	108.666
Cl3	C1	H5	108.666	H4	C1	H5	112.029

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

using model chemistry: CCSD(T)/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(T)/TZVP

States and conformations

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