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	hartrees
Energy at 0K	-3068.811780
Energy at 298.15K	-3068.817093
HF Energy	-3068.395300
Nuclear repulsion energy	217.921199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3013	6.67
2	A'	1521	1426	0.77
3	A'	1321	1238	63.83
4	A'	797	747	74.51
5	A'	628	589	22.30
6	A'	238	223	0.30
7	A"	3301	3095	0.11
8	A"	1209	1134	0.00
9	A"	885	830	2.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.030	0.000
Br2	0.838	-0.728	0.000
Cl3	-1.764	0.955	0.000
H4	0.334	1.539	0.895
H5	0.334	1.539	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9480	1.7656	1.0823	1.0823
Br2	1.9480		3.0985	2.4894	2.4894
Cl3	1.7656	3.0985		2.3545	2.3545
H4	1.0823	2.4894	2.3545		1.7896
H5	1.0823	2.4894	2.3545	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.010	Br2	C1	H4	106.974
Br2	C1	H5	106.974	Cl3	C1	H4	109.177
Cl3	C1	H5	109.177	H4	C1	H5	111.538

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: CCD/6-31G**

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: CCD/6-31G**

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)