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	hartrees
Energy at 0K	-3068.798862
Energy at 298.15K	-3068.804152
HF Energy	-3068.391653
Nuclear repulsion energy	217.354469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3021	5.90
2	A'	1509	1437	0.47
3	A'	1308	1246	60.15
4	A'	784	747	80.40
5	A'	617	588	26.43
6	A'	235	224	0.29
7	A"	3255	3100	0.02
8	A"	1199	1142	0.00
9	A"	881	839	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.035	0.000
Br2	0.839	-0.730	0.000
Cl3	-1.767	0.957	0.000
H4	0.335	1.546	0.900
H5	0.335	1.546	-0.900

	C1	Br2	Cl3	H4	H5
C1		1.9550	1.7687	1.0879	1.0879
Br2	1.9550		3.1044	2.4991	2.4991
Cl3	1.7687	3.1044		2.3617	2.3617
H4	1.0879	2.4991	2.3617		1.8005
H5	1.0879	2.4991	2.3617	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.865	Br2	C1	H4	106.947
Br2	C1	H5	106.947	Cl3	C1	H4	109.200
Cl3	C1	H5	109.200	H4	C1	H5	111.692

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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