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	hartrees
Energy at 0K	-3527.301930
Energy at 298.15K	-3527.306217
HF Energy	-3527.078572
Nuclear repulsion energy	382.025664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3082	0.22
2	A'	1239	1162	35.59
3	A'	697	654	101.28
4	A'	577	541	9.31
5	A'	314	295	0.51
6	A'	216	202	0.36
7	A"	1273	1193	22.31
8	A"	721	676	115.97
9	A"	212	199	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.689	-0.119	0.000
H2	-1.604	0.459	0.000
Br3	0.833	1.140	0.000
Cl4	-0.689	-1.166	1.525
Cl5	-0.689	-1.166	-1.525

	C1	H2	Br3	Cl4	Cl5
C1		1.0822	1.9755	1.8496	1.8496
H2	1.0822		2.5308	2.4087	2.4087
Br3	1.9755	2.5308		3.1559	3.1559
Cl4	1.8496	2.4087	3.1559		3.0497
Cl5	1.8496	2.4087	3.1559	3.0497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.142	H2	C1	Cl4	107.586
H2	C1	Cl5	107.586	Br3	C1	Cl4	111.144
Br3	C1	Cl5	111.144	Cl4	C1	Cl5	111.062

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: CISD/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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)