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	hartrees
Energy at 0K	-3515.365312
Energy at 298.15K
HF Energy	-3515.282592
Nuclear repulsion energy	380.090269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3269	3112	0.87	75.12	0.27	0.42
2	A'	1213	1155	38.01	9.00	0.75	0.86
3	A'	693	659	137.67	7.31	0.38	0.56
4	A'	562	535	5.47	11.31	0.01	0.01
5	A'	298	284	0.32	13.01	0.28	0.44
6	A'	207	197	0.62	7.50	0.68	0.81
7	A"	1221	1162	20.10	9.41	0.75	0.86
8	A"	664	632	150.18	8.55	0.75	0.86
9	A"	203	193	0.02	7.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.677	-0.106	0.000
H2	-1.613	0.433	0.000
Br3	0.820	1.163	0.000
Cl4	-0.677	-1.191	1.526
Cl5	-0.677	-1.191	-1.526

	C1	H2	Br3	Cl4	Cl5
C1		1.0797	1.9628	1.8724	1.8724
H2	1.0797		2.5406	2.4166	2.4166
Br3	1.9628	2.5406		3.1797	3.1797
Cl4	1.8724	2.4166	3.1797		3.0526
Cl5	1.8724	2.4166	3.1797	3.0526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.808	H2	C1	Cl4	106.797
H2	C1	Cl5	106.797	Br3	C1	Cl4	111.987
Br3	C1	Cl5	111.987	Cl4	C1	Cl5	109.205

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/3-21G

States and conformations

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