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	hartrees
Energy at 0K	-3989.863750
Energy at 298.15K	-3989.867054
HF Energy	-3988.854846
Nuclear repulsion energy	618.997306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	772	737	123.26
2	A₁	433	414	0.14
3	A₁	255	244	0.00
4	E	818	781	120.20
4	E	818	781	120.22
5	E	301	287	0.01
5	E	301	287	0.01
6	E	195	186	0.01
6	E	195	186	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.410
Br2	0.000	0.000	1.528
Cl3	0.000	1.670	-1.001
Cl4	1.446	-0.835	-1.001
Cl5	-1.446	-0.835	-1.001

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9382	1.7716	1.7716	1.7716
Br2	1.9382		3.0307	3.0307	3.0307
Cl3	1.7716	3.0307		2.8929	2.8929
Cl4	1.7716	3.0307	2.8929		2.8929
Cl5	1.7716	3.0307	2.8929	2.8929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.478	Br2	C1	Cl4	109.478
Br2	C1	Cl5	109.478	Cl3	C1	Cl4	109.464
Cl3	C1	Cl5	109.464	Cl4	C1	Cl5	109.464

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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