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	hartrees
Energy at 0K	-3071.488308
Energy at 298.15K	-3071.493617
HF Energy	-3070.925406
Nuclear repulsion energy	218.902149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3002	3.53
2	A'	1489	1420	0.04
3	A'	1286	1227	51.30
4	A'	782	746	82.58
5	A'	636	607	19.07
6	A'	234	223	0.19
7	A"	3226	3077	0.83
8	A"	1183	1128	0.01
9	A"	876	836	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.023	0.000
Br2	0.837	-0.720	0.000
Cl3	-1.761	0.941	0.000
H4	0.324	1.538	0.896
H5	0.324	1.538	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9340	1.7632	1.0826	1.0826
Br2	1.9340		3.0843	2.4829	2.4829
Cl3	1.7632	3.0843		2.3467	2.3467
H4	1.0826	2.4829	2.3467		1.7913
H5	1.0826	2.4829	2.3467	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.984	Br2	C1	H4	107.400
Br2	C1	H5	107.400	Cl3	C1	H4	108.728
Cl3	C1	H5	108.728	H4	C1	H5	111.638

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

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

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