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	hartrees
Energy at 0K	-3533.295288
Energy at 298.15K	-3533.299608
HF Energy	-3533.295288
Nuclear repulsion energy	390.308878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3087	0.10
2	A'	1211	1170	43.26
3	A'	692	668	142.96
4	A'	590	570	34.34
5	A'	329	318	0.05
6	A'	220	213	0.20
7	A"	1266	1224	24.73
8	A"	723	699	186.11
9	A"	215	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.670	-0.152	0.000
H2	-1.580	0.433	0.000
Br3	0.811	1.134	0.000
Cl4	-0.670	-1.153	1.475
Cl5	-0.670	-1.153	-1.475

	C1	H2	Br3	Cl4	Cl5
C1		1.0815	1.9615	1.7828	1.7828
H2	1.0815		2.4920	2.3492	2.3492
Br3	1.9615	2.4920		3.0986	3.0986
Cl4	1.7828	2.3492	3.0986		2.9495
Cl5	1.7828	2.3492	3.0986	2.9495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.329	H2	C1	Cl4	107.679
H2	C1	Cl5	107.679	Br3	C1	Cl4	111.608
Br3	C1	Cl5	111.608	Cl4	C1	Cl5	111.632

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

using model chemistry: B3LYP/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	-0.476
2	H	0.338
3	Br	0.069
4	Cl	0.034
5	Cl	0.034

	x	y	z	Total
	-0.885	0.775	0.000	1.176
CHELPG
AIM
ESP

	x	y	z
x	5.695	2.062	0.000
y	2.062	7.454	0.000
z	0.000	0.000	7.854

<r²>	239.166
(<r²>)^1/2	15.465

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

using model chemistry: B3LYP/6-311G*

States and conformations

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