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	hartrees
Energy at 0K	-3530.421996
Energy at 298.15K
HF Energy	-3529.831774
Nuclear repulsion energy	393.544340

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'	3196	3196	2.14	63.24	0.17	0.29
2	A'	1204	1204	32.47	2.94	0.52	0.68
3	A'	748	748	109.32	5.05	0.65	0.79
4	A'	620	620	12.73	12.78	0.03	0.06
5	A'	336	336	0.11	6.60	0.12	0.22
6	A'	228	228	0.02	3.18	0.48	0.65
7	A"	1234	1234	18.33	2.13	0.75	0.86
8	A"	786	786	123.82	3.41	0.75	0.86
9	A"	222	222	0.00	2.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.677	-0.126	0.000
H2	-1.591	0.475	0.000
Br3	0.819	1.108	0.000
Cl4	-0.677	-1.132	1.465
Cl5	-0.677	-1.132	-1.465

	C1	H2	Br3	Cl4	Cl5
C1		1.0939	1.9398	1.7771	1.7771
H2	1.0939		2.4922	2.3589	2.3589
Br3	1.9398	2.4922		3.0666	3.0666
Cl4	1.7771	2.3589	3.0666		2.9296
Cl5	1.7771	2.3589	3.0666	2.9296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.154	H2	C1	Cl4	108.131
H2	C1	Cl5	108.131	Br3	C1	Cl4	111.112
Br3	C1	Cl5	111.112	Cl4	C1	Cl5	111.028

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

using model chemistry: MP2/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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