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	hartrees
Energy at 0K	-3532.736902
Energy at 298.15K
HF Energy	-3532.344364
Nuclear repulsion energy	394.608620

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'	3200	3200	1.26	62.92	0.21	0.34
2	A'	1206	1206	33.34	3.44	0.55	0.71
3	A'	727	727	120.50	5.31	0.72	0.84
4	A'	609	609	18.96	11.14	0.06	0.11
5	A'	331	331	0.12	6.77	0.20	0.33
6	A'	222	222	0.00	4.48	0.55	0.71
7	A"	1244	1244	18.37	2.39	0.75	0.86
8	A"	763	763	137.80	3.26	0.75	0.86
9	A"	215	215	0.01	3.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.138	0.000
H2	-1.573	0.455	0.000
Br3	0.814	1.112	0.000
Cl4	-0.673	-1.133	1.458
Cl5	-0.673	-1.133	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0786	1.9417	1.7655	1.7655
H2	1.0786		2.4753	2.3370	2.3370
Br3	1.9417	2.4753		3.0618	3.0618
Cl4	1.7655	2.3370	3.0618		2.9167
Cl5	1.7655	2.3370	3.0618	2.9167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.555	H2	C1	Cl4	108.067
H2	C1	Cl5	108.067	Br3	C1	Cl4	111.271
Br3	C1	Cl5	111.271	Cl4	C1	Cl5	111.383

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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=FULLultrafine/Def2TZVPP

States and conformations

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