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	hartrees
Energy at 0K	-3073.614813
Energy at 298.15K	-3073.620073
HF Energy	-3073.614813
Nuclear repulsion energy	218.523100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	2991	2.76
2	A'	1447	1385	0.25
3	A'	1249	1195	45.54
4	A'	745	713	98.13
5	A'	612	586	33.53
6	A'	228	218	0.18
7	A"	3207	3070	1.42
8	A"	1151	1102	0.00
9	A"	856	819	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.021	0.000
Br2	0.836	-0.727	0.000
Cl3	-1.760	0.957	0.000
H4	0.329	1.530	0.898
H5	0.329	1.530	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9378	1.7607	1.0833	1.0833
Br2	1.9378		3.0940	2.4815	2.4815
Cl3	1.7607	3.0940		2.3444	2.3444
H4	1.0833	2.4815	2.3444		1.7961
H5	1.0833	2.4815	2.3444	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.471	Br2	C1	H4	107.023
Br2	C1	H5	107.023	Cl3	C1	H4	108.694
Cl3	C1	H5	108.694	H4	C1	H5	111.989

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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	-0.204
2	Br	-0.040
3	Cl	-0.151
4	H	0.198
5	H	0.198

	x	y	z	Total
	0.763	1.354	0.000	1.554
CHELPG
AIM
ESP

	x	y	z
x	8.517	-1.477	0.000
y	-1.477	7.574	0.000
z	0.000	0.000	5.887

<r²>	147.140
(<r²>)^1/2	12.130

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

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

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