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	hartrees
Energy at 0K	-3527.816815
Energy at 298.15K	-3527.821273
HF Energy	-3527.276466
Nuclear repulsion energy	393.932967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3070	0.35
2	A'	1252	1176	37.29
3	A'	771	723	101.00
4	A'	621	583	20.82
5	A'	345	324	0.47
6	A'	233	218	0.02
7	A"	1322	1240	24.23
8	A"	834	783	119.06
9	A"	227	213	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.681	-0.140	0.000
H2	-1.576	0.470	0.000
Br3	0.823	1.107	0.000
Cl4	-0.681	-1.129	1.461
Cl5	-0.681	-1.129	-1.461

	C1	H2	Br3	Cl4	Cl5
C1		1.0832	1.9544	1.7636	1.7636
H2	1.0832		2.4819	2.3433	2.3433
Br3	1.9544	2.4819		3.0652	3.0652
Cl4	1.7636	2.3433	3.0652		2.9214
Cl5	1.7636	2.3433	3.0652	2.9214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.000	H2	C1	Cl4	108.423
H2	C1	Cl5	108.423	Br3	C1	Cl4	110.959
Br3	C1	Cl5	110.959	Cl4	C1	Cl5	111.839

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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