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	hartrees
Energy at 0K	-3513.074487
Energy at 298.15K	-3513.078752
HF Energy	-3512.846491
Nuclear repulsion energy	379.947314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3072	0.62
2	A'	1240	1155	34.24
3	A'	724	675	94.16
4	A'	567	528	5.45
5	A'	304	283	0.35
6	A'	212	197	0.86
7	A"	1251	1165	19.08
8	A"	706	658	108.10
9	A"	207	193	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.678	-0.110	0.000
H2	-1.612	0.431	0.000
Br3	0.821	1.164	0.000
Cl4	-0.678	-1.191	1.526
Cl5	-0.678	-1.191	-1.526

	C1	H2	Br3	Cl4	Cl5
C1		1.0793	1.9671	1.8702	1.8702
H2	1.0793		2.5414	2.4148	2.4148
Br3	1.9671	2.5414		3.1814	3.1814
Cl4	1.8702	2.4148	3.1814		3.0517
Cl5	1.8702	2.4148	3.1814	3.0517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.601	H2	C1	Cl4	106.831
H2	C1	Cl5	106.831	Br3	C1	Cl4	111.984
Br3	C1	Cl5	111.984	Cl4	C1	Cl5	109.351

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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