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	hartrees
Energy at 0K	-3533.251612
Energy at 298.15K	-3533.255795
HF Energy	-3533.251612
Nuclear repulsion energy	385.080313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3103	0.17
2	A'	1144	1140	40.94
3	A'	637	635	136.71
4	A'	551	549	62.58
5	A'	312	311	0.03
6	A'	207	206	0.79
7	A"	1200	1195	23.37
8	A"	658	655	207.60
9	A"	203	203	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.678	-0.159	0.000
H2	-1.592	0.432	0.000
Br3	0.821	1.152	0.000
Cl4	-0.678	-1.171	1.493
Cl5	-0.678	-1.171	-1.493

	C1	H2	Br3	Cl4	Cl5
C1		1.0875	1.9917	1.8041	1.8041
H2	1.0875		2.5182	2.3733	2.3733
Br3	1.9917	2.5182		3.1426	3.1426
Cl4	1.8041	2.3733	3.1426		2.9866
Cl5	1.8041	2.3733	3.1426	2.9866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	105.970	H2	C1	Cl4	107.730
H2	C1	Cl5	107.730	Br3	C1	Cl4	111.675
Br3	C1	Cl5	111.675	Cl4	C1	Cl5	111.729

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

using model chemistry: BLYP/6-311G**

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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Number	Element	Mulliken
1	C	-0.364
2	H	0.253
3	Br	0.055
4	Cl	0.028
5	Cl	0.028

	x	y	z	Total
	-0.879	0.734	0.000	1.145
CHELPG
AIM
ESP

	x	y	z
x	5.934	2.276	0.000
y	2.276	7.900	0.000
z	0.000	0.000	8.333

<r²>	245.029
(<r²>)^1/2	15.653

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

using model chemistry: BLYP/6-311G**

States and conformations

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