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	hartrees
Energy at 0K	-3532.616087
Energy at 298.15K
HF Energy	-3532.285315
Nuclear repulsion energy	392.373802

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'	3217	3217	0.09	62.71	0.28	0.43
2	A'	1230	1230	43.90	6.58	0.67	0.80
3	A'	724	724	136.93	4.86	0.66	0.79
4	A'	607	607	23.27	10.09	0.06	0.11
5	A'	337	337	0.06	9.11	0.27	0.43
6	A'	226	226	0.06	6.41	0.58	0.73
7	A"	1287	1287	25.61	6.19	0.75	0.86
8	A"	762	762	168.38	2.96	0.75	0.86
9	A"	220	220	0.00	5.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.147	0.000
H2	-1.577	0.441	0.000
Br3	0.810	1.125	0.000
Cl4	-0.669	-1.145	1.467
Cl5	-0.669	-1.145	-1.467

	C1	H2	Br3	Cl4	Cl5
C1		1.0811	1.9509	1.7745	1.7745
H2	1.0811		2.4832	2.3431	2.3431
Br3	1.9509	2.4832		3.0809	3.0809
Cl4	1.7745	2.3431	3.0809		2.9349
Cl5	1.7745	2.3431	3.0809	2.9349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.408	H2	C1	Cl4	107.792
H2	C1	Cl5	107.792	Br3	C1	Cl4	111.495
Br3	C1	Cl5	111.495	Cl4	C1	Cl5	111.578

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

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