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	hartrees
Energy at 0K	-3530.597151
Energy at 298.15K
HF Energy	-3529.841367
Nuclear repulsion energy	395.858742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3046	2.17
2	A'	1232	1175	32.03
3	A'	769	734	95.97
4	A'	625	596	10.63
5	A'	342	326	0.12
6	A'	230	220	0.03
7	A"	1271	1212	18.67
8	A"	815	778	108.90
9	A"	223	212	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.134	0.000
H2	-1.576	0.460	0.000
Br3	0.813	1.106	0.000
Cl4	-0.672	-1.129	1.453
Cl5	-0.672	-1.129	-1.453

	C1	H2	Br3	Cl4	Cl5
C1		1.0818	1.9347	1.7609	1.7609
H2	1.0818		2.4746	2.3350	2.3350
Br3	1.9347	2.4746		3.0514	3.0514
Cl4	1.7609	2.3350	3.0514		2.9066
Cl5	1.7609	2.3350	3.0514	2.9066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.811	H2	C1	Cl4	108.061
H2	C1	Cl5	108.061	Br3	C1	Cl4	111.230
Br3	C1	Cl5	111.230	Cl4	C1	Cl5	111.242

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

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 CHBrCl2 (Methane, bromodichloro-)

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

States and conformations

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