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	hartrees
Energy at 0K	-3989.818408
Energy at 298.15K	-3989.811572
HF Energy	-3986.152652
Nuclear repulsion energy	620.624685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	826	778	144.73
2	A₁	462	436	0.36
3	A₁	273	257	0.01
4	E	897	845	141.89
4	E	897	845	141.89
5	E	326	307	0.04
5	E	326	307	0.04
6	E	214	202	0.00
6	E	214	202	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.428
Br2	0.000	0.000	1.529
Cl3	0.000	1.669	-0.999
Cl4	1.446	-0.835	-0.999
Cl5	-1.446	-0.835	-0.999

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9572	1.7644	1.7644	1.7644
Br2	1.9572		3.0297	3.0297	3.0297
Cl3	1.7644	3.0297		2.8914	2.8914
Cl4	1.7644	3.0297	2.8914		2.8914
Cl5	1.7644	3.0297	2.8914	2.8914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.180	Br2	C1	Cl4	109.180
Br2	C1	Cl5	109.180	Cl3	C1	Cl4	109.761
Cl3	C1	Cl5	109.761	Cl4	C1	Cl5	109.761

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

using model chemistry: G2

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: G2

States and conformations

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