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	hartrees
Energy at 0K	-3530.395956
Energy at 298.15K	-3530.400407
HF Energy	-3529.813920
Nuclear repulsion energy	393.401227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3060	0.22
2	A'	1248	1195	41.42
3	A'	761	728	112.16
4	A'	619	592	14.46
5	A'	343	329	0.11
6	A'	231	222	0.00
7	A"	1307	1251	24.89
8	A"	810	776	134.03
9	A"	224	215	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.145	0.000
H2	-1.579	0.446	0.000
Br3	0.810	1.120	0.000
Cl4	-0.669	-1.141	1.463
Cl5	-0.669	-1.141	-1.463

	C1	H2	Br3	Cl4	Cl5
C1		1.0855	1.9464	1.7695	1.7695
H2	1.0855		2.4826	2.3422	2.3422
Br3	1.9464	2.4826		3.0722	3.0722
Cl4	1.7695	2.3422	3.0722		2.9265
Cl5	1.7695	2.3422	3.0722	2.9265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.444	H2	C1	Cl4	107.833
H2	C1	Cl5	107.833	Br3	C1	Cl4	111.447
Br3	C1	Cl5	111.447	Cl4	C1	Cl5	111.567

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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