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	hartrees
Energy at 0K	-3068.395480
Energy at 298.15K	-3068.400855
HF Energy	-3068.395480
Nuclear repulsion energy	219.041376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	2992	7.72
2	A'	1592	1437	0.58
3	A'	1391	1256	83.32
4	A'	818	738	110.90
5	A'	658	594	33.73
6	A'	250	226	0.34
7	A"	3406	3074	0.02
8	A"	1275	1151	0.02
9	A"	933	842	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.024	0.000
Br2	0.837	-0.720	0.000
Cl3	-1.761	0.940	0.000
H4	0.323	1.532	0.889
H5	0.323	1.532	-0.889

	C1	Br2	Cl3	H4	H5
C1		1.9339	1.7634	1.0739	1.0739
Br2	1.9339		3.0835	2.4749	2.4749
Cl3	1.7634	3.0835		2.3422	2.3422
H4	1.0739	2.4749	2.3422		1.7781
H5	1.0739	2.4749	2.3422	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.940	Br2	C1	H4	107.249
Br2	C1	H5	107.249	Cl3	C1	H4	108.839
Cl3	C1	H5	108.839	H4	C1	H5	111.760

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: HF/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	-0.292
2	Br	-0.109
3	Cl	-0.024
4	H	0.213
5	H	0.213

	x	y	z	Total
	1.009	1.584	0.000	1.877
CHELPG
AIM
ESP

	x	y	z
x	6.400	-1.312	0.000
y	-1.312	5.492	0.000
z	0.000	0.000	3.727

<r²>	146.579
(<r²>)^1/2	12.107

All results from a given calculation for CH2BrCl (Methane, bromochloro-)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)