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	hartrees
Energy at 0K	-5615.849372
Energy at 298.15K	-5615.856330
HF Energy	-5615.608228
Nuclear repulsion energy	553.839618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3144	0.02
2	A'	1217	1183	17.68
3	A'	671	653	84.28
4	A'	523	508	2.35
5	A'	259	251	0.19
6	A'	162	158	0.01
7	A"	1206	1172	31.73
8	A"	688	669	71.35
9	A"	187	182	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.584	0.000
H2	-1.145	1.199	0.000
Cl3	1.198	1.804	0.000
Br4	-0.253	-0.505	1.662
Br5	-0.253	-0.505	-1.662

	C1	H2	Cl3	Br4	Br5
C1		1.0842	1.8957	1.9865	1.9865
H2	1.0842		2.4198	2.5421	2.5421
Cl3	1.8957	2.4198		3.1934	3.1934
Br4	1.9865	2.5421	3.1934		3.3231
Br5	1.9865	2.5421	3.1934	3.3231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	105.324	H2	C1	Br4	108.134
H2	C1	Br5	108.134	Cl3	C1	Br4	110.661
Cl3	C1	Br5	110.661	Br4	C1	Br5	113.528

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

using model chemistry: CCD/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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: CCD/3-21G

States and conformations

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