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	hartrees
Energy at 0K
Energy at 298.15K	-0.014457
HF Energy	-0.014457
Nuclear repulsion energy	94.609319

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'	2999	2921	25.58	92.29	0.35	0.52
2	A'	1115	1086	82.16	57.54	0.35	0.52
3	A'	696	678	127.97	181.85	0.37	0.54
4	A'	644	627	8.97	23.13	0.13	0.22
5	A'	312	304	1.27	13.04	0.58	0.73
6	A'	202	197	0.62	8.59	0.72	0.83
7	A"	1159	1129	31.26	8.00	0.75	0.86
8	A"	689	671	88.17	25.82	0.75	0.86
9	A"	182	177	1.11	13.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.795	0.044	0.000
H2	-1.580	0.826	0.000
Br3	0.953	0.856	0.000
Cl4	-0.795	-0.914	1.423
Cl5	-0.795	-0.914	-1.423

	C1	H2	Br3	Cl4	Cl5
C1		1.1088	1.9274	1.7156	1.7156
H2	1.1088		2.5339	2.3814	2.3814
Br3	1.9274	2.5339		2.8660	2.8660
Cl4	1.7156	2.3814	2.8660		2.8468
Cl5	1.7156	2.3814	2.8660	2.8468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	110.203	H2	C1	Cl4	113.193
H2	C1	Cl5	113.193	Br3	C1	Cl4	103.608
Br3	C1	Cl5	103.608	Cl4	C1	Cl5	112.134

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

using model chemistry: PM3

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: PM3

States and conformations

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