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	hartrees
Energy at 0K	-3513.808281
Energy at 298.15K	-3513.812658
HF Energy	-3513.280234
Nuclear repulsion energy	392.093302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3059	0.67
2	A'	1254	1188	29.90
3	A'	725	687	113.30
4	A'	620	588	7.16
5	A'	330	313	0.24
6	A'	228	216	0.17
7	A"	1301	1234	16.96
8	A"	729	691	125.89
9	A"	220	209	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.690	-0.112	0.000
H2	-1.590	0.493	0.000
Br3	0.834	1.099	0.000
Cl4	-0.690	-1.126	1.475
Cl5	-0.690	-1.126	-1.475

	C1	H2	Br3	Cl4	Cl5
C1		1.0846	1.9468	1.7894	1.7894
H2	1.0846		2.4989	2.3676	2.3676
Br3	1.9468	2.4989		3.0734	3.0734
Cl4	1.7894	2.3676	3.0734		2.9494
Cl5	1.7894	2.3676	3.0734	2.9494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.620	H2	C1	Cl4	108.433
H2	C1	Cl5	108.433	Br3	C1	Cl4	110.622
Br3	C1	Cl5	110.622	Cl4	C1	Cl5	110.996

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

using model chemistry: MP2=FULL/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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP2=FULL/3-21G*

States and conformations

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