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	hartrees
Energy at 0K	-3530.543032
Energy at 298.15K
HF Energy	-3529.860906
Nuclear repulsion energy	392.747023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3090	0.04
2	A'	1228	1173	51.67
3	A'	756	722	109.74
4	A'	615	587	15.20
5	A'	336	321	0.27
6	A'	225	215	0.04
7	A"	1282	1225	31.34
8	A"	803	767	120.95
9	A"	219	209	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.670	-0.142	0.000
H2	-1.574	0.450	0.000
Br3	0.811	1.121	0.000
Cl4	-0.670	-1.142	1.468
Cl5	-0.670	-1.142	-1.468

	C1	H2	Br3	Cl4	Cl5
C1		1.0803	1.9457	1.7763	1.7763
H2	1.0803		2.4774	2.3462	2.3462
Br3	1.9457	2.4774		3.0765	3.0765
Cl4	1.7763	2.3462	3.0765		2.9360
Cl5	1.7763	2.3462	3.0765	2.9360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.369	H2	C1	Cl4	107.949
H2	C1	Cl5	107.949	Br3	C1	Cl4	111.421
Br3	C1	Cl5	111.421	Cl4	C1	Cl5	111.472

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

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

using model chemistry: QCISD/TZVP

States and conformations

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