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	hartrees
Energy at 0K	-3040.007441
Energy at 298.15K	-3040.012653
HF Energy	-3040.007441
Nuclear repulsion energy	214.056032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	2967	0.08
2	A'	1593	1421	0.27
3	A'	1347	1202	44.69
4	A'	819	730	84.19
5	A'	691	617	12.15
6	A'	234	209	1.56
7	A"	3453	3081	0.01
8	A"	1229	1097	0.05
9	A"	895	798	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.005	0.000
Br2	0.884	-0.705	0.000
Cl3	-1.852	0.913	0.000
H4	0.280	1.576	0.906
H5	0.280	1.576	-0.906

	C1	Br2	Cl3	H4	H5
C1		1.9249	1.8544	1.1068	1.1068
Br2	1.9249		3.1784	2.5275	2.5275
Cl3	1.8544	3.1784		2.4096	2.4096
H4	1.1068	2.5275	2.4096		1.8117
H5	1.1068	2.5275	2.4096	1.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.479	Br2	C1	H4	110.012
Br2	C1	H5	110.012	Cl3	C1	H4	106.158
Cl3	C1	H5	106.158	H4	C1	H5	109.856

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

using model chemistry: B3LYP/STO-3G

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	-0.162
2	Br	0.053
3	Cl	-0.140
4	H	0.124
5	H	0.124

	x	y	z	Total
	1.704	0.963	0.000	1.957
CHELPG
AIM
ESP

	x	y	z
x	3.493	-1.182	0.000
y	-1.182	2.549	0.000
z	0.000	0.000	0.926

<r²>	151.788
(<r²>)^1/2	12.320

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

using model chemistry: B3LYP/STO-3G

States and conformations

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