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	hartrees
Energy at 0K	-3970.709233
Energy at 298.15K	-3970.712433
HF Energy	-3970.078097
Nuclear repulsion energy	613.440939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	747	711	131.13
2	A₁	415	395	0.01
3	A₁	255	243	0.06
4	E	740	704	134.91
4	E	740	704	134.91
5	E	299	284	0.00
5	E	299	284	0.00
6	E	197	187	0.00
6	E	197	187	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.414
Br2	0.000	0.000	1.536
Cl3	0.000	1.691	-1.005
Cl4	1.465	-0.846	-1.005
Cl5	-1.465	-0.846	-1.005

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9494	1.7918	1.7918	1.7918
Br2	1.9494		3.0525	3.0525	3.0525
Cl3	1.7918	3.0525		2.9295	2.9295
Cl4	1.7918	3.0525	2.9295		2.9295
Cl5	1.7918	3.0525	2.9295	2.9295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.282	Br2	C1	Cl4	109.282
Br2	C1	Cl5	109.282	Cl3	C1	Cl4	109.660
Cl3	C1	Cl5	109.660	Cl4	C1	Cl5	109.660

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)

using model chemistry: MP2/3-21G*

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 CBrCl3 (Methane, bromotrichloro-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)