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	hartrees
Energy at 0K	-3073.647187
Energy at 298.15K	-3073.652328
HF Energy	-3073.647187
Nuclear repulsion energy	213.021371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3057	3050	7.90
2	A'	1419	1416	0.26
3	A'	1232	1229	63.05
4	A'	657	656	115.06
5	A'	547	546	62.43
6	A'	214	213	0.14
7	A"	3142	3134	0.29
8	A"	1127	1124	0.12
9	A"	830	828	6.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.042	0.000
Br2	0.858	-0.750	0.000
Cl3	-1.806	0.993	0.000
H4	0.328	1.550	0.907
H5	0.328	1.550	-0.907

	C1	Br2	Cl3	H4	H5
C1		1.9867	1.8067	1.0897	1.0897
Br2	1.9867		3.1838	2.5279	2.5279
Cl3	1.8067	3.1838		2.3846	2.3846
H4	1.0897	2.5279	2.3846		1.8135
H5	1.0897	2.5279	2.3846	1.8135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.045	Br2	C1	H4	106.858
Br2	C1	H5	106.858	Cl3	C1	H4	108.276
Cl3	C1	H5	108.276	H4	C1	H5	112.630

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

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	-0.553
2	Br	0.004
3	Cl	-0.027
4	H	0.288
5	H	0.288

	x	y	z	Total
	0.983	1.386	0.000	1.699
CHELPG
AIM
ESP

	x	y	z
x	7.277	-1.874	0.000
y	-1.874	5.968	0.000
z	0.000	0.000	3.519

<r²>	154.501
(<r²>)^1/2	12.430

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

using model chemistry: BLYP/6-311G*

States and conformations

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