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	hartrees
Energy at 0K	-3527.865708
Energy at 298.15K
HF Energy	-3527.276538
Nuclear repulsion energy	394.449581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3069	0.35
2	A'	1254	1177	36.60
3	A'	772	725	100.56
4	A'	623	585	19.81
5	A'	346	325	0.45
6	A'	233	219	0.03
7	A"	1321	1239	23.83
8	A"	835	783	118.00
9	A"	228	214	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.679	-0.140	0.000
H2	-1.574	0.470	0.000
Br3	0.821	1.106	0.000
Cl4	-0.679	-1.127	1.460
Cl5	-0.679	-1.127	-1.460

	C1	H2	Br3	Cl4	Cl5
C1		1.0829	1.9503	1.7622	1.7622
H2	1.0829		2.4784	2.3416	2.3416
Br3	1.9503	2.4784		3.0609	3.0609
Cl4	1.7622	2.3416	3.0609		2.9191
Cl5	1.7622	2.3416	3.0609	2.9191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.024	H2	C1	Cl4	108.404
H2	C1	Cl5	108.404	Br3	C1	Cl4	110.967
Br3	C1	Cl5	110.967	Cl4	C1	Cl5	111.837

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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