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	hartrees
Energy at 0K	-3071.008241
Energy at 298.15K	-3071.013324
HF Energy	-3071.008241
Nuclear repulsion energy	208.796781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	3077	4.41
2	A'	1428	1417	0.12
3	A'	1222	1213	51.68
4	A'	610	606	114.78
5	A'	537	533	56.55
6	A'	203	201	0.30
7	A"	3206	3182	0.47
8	A"	1099	1090	0.00
9	A"	822	815	5.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.071	0.000
Br2	0.894	-0.737	0.000
Cl3	-1.875	0.954	0.000
H4	0.299	1.582	0.917
H5	0.299	1.582	-0.917

	C1	Br2	Cl3	H4	H5
C1		2.0168	1.8791	1.0911	1.0911
Br2	2.0168		3.2445	2.5634	2.5634
Cl3	1.8791	3.2445		2.4419	2.4419
H4	1.0911	2.5634	2.4419		1.8331
H5	1.0911	2.5634	2.4419	1.8331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.731	Br2	C1	H4	107.358
Br2	C1	H5	107.358	Cl3	C1	H4	107.620
Cl3	C1	H5	107.620	H4	C1	H5	114.282

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

using model chemistry: BLYP/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	-0.558
2	Br	0.065
3	Cl	0.018
4	H	0.237
5	H	0.237

	x	y	z	Total
	1.310	1.512	0.000	2.001
CHELPG
AIM
ESP

	x	y	z
x	6.579	-2.018	0.000
y	-2.018	5.195	0.000
z	0.000	0.000	2.500

<r²>	159.434
(<r²>)^1/2	12.627

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

using model chemistry: BLYP/6-31G

States and conformations

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