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	hartrees
Energy at 0K	-3525.477214
Energy at 298.15K
HF Energy	-3525.477214
Nuclear repulsion energy	396.464031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3059	1.12
2	A'	1152	1130	28.94
3	A'	713	700	138.97
4	A'	604	593	37.06
5	A'	332	325	0.30
6	A'	221	217	0.02
7	A"	1212	1190	18.65
8	A"	755	741	180.20
9	A"	216	212	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.135	0.000
H2	-1.581	0.479	0.000
Br3	0.813	1.098	0.000
Cl4	-0.672	-1.121	1.457
Cl5	-0.672	-1.121	-1.457

	C1	H2	Br3	Cl4	Cl5
C1		1.0967	1.9302	1.7596	1.7596
H2	1.0967		2.4725	2.3472	2.3472
Br3	1.9302	2.4725		3.0418	3.0418
Cl4	1.7596	2.3472	3.0418		2.9149
Cl5	1.7596	2.3472	3.0418	2.9149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.254	H2	C1	Cl4	108.282
H2	C1	Cl5	108.282	Br3	C1	Cl4	110.970
Br3	C1	Cl5	110.970	Cl4	C1	Cl5	111.849

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

using model chemistry: LSDA/6-31G*

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	-0.432
2	H	0.300
3	Br	-0.010
4	Cl	0.071
5	Cl	0.071

	x	y	z	Total
	-0.919	0.698	0.000	1.155
CHELPG
AIM
ESP

	x	y	z
x	5.877	1.756	0.000
y	1.756	7.286	0.000
z	0.000	0.000	7.700

<r²>	231.487
(<r²>)^1/2	15.215

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

using model chemistry: LSDA/6-31G*

States and conformations

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