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	hartrees
Energy at 0K	-5648.072055
Energy at 298.15K	-5648.079141
HF Energy	-5648.072055
Nuclear repulsion energy	578.627306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3075	4.55
2	A'	1213	1163	19.91
3	A'	754	723	121.63
4	A'	579	555	5.80
5	A'	281	270	0.05
6	A'	165	158	0.00
7	A"	1169	1121	35.50
8	A"	682	654	114.81
9	A"	199	191	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.594	0.000
H2	-1.155	1.151	0.000
Cl3	1.100	1.737	0.000
Br4	-0.231	-0.489	1.592
Br5	-0.231	-0.489	-1.592

	C1	H2	Cl3	Br4	Br5
C1		1.0783	1.7539	1.9254	1.9254
H2	1.0783		2.3293	2.4649	2.4649
Cl3	1.7539	2.3293		3.0431	3.0431
Br4	1.9254	2.4649	3.0431		3.1830
Br5	1.9254	2.4649	3.0431	3.1830

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: B1B95/aug-cc-pVTZ

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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)