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	hartrees
Energy at 0K	-3073.669809
Energy at 298.15K
HF Energy	-3073.669809
Nuclear repulsion energy	219.231693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3147	3147	1.70	88.19	0.05	0.09
2	A'	1467	1467	0.13	7.65	0.58	0.74
3	A'	1266	1266	49.23	1.24	0.11	0.19
4	A'	770	770	96.81	4.39	0.47	0.64
5	A'	636	636	25.81	18.53	0.11	0.19
6	A'	233	233	0.21	3.97	0.37	0.54
7	A"	3228	3228	2.41	43.37	0.75	0.86
8	A"	1169	1169	0.00	1.50	0.75	0.86
9	A"	867	867	2.30	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.023	0.000
Br2	0.835	-0.720	0.000
Cl3	-1.758	0.940	0.000
H4	0.323	1.534	0.897
H5	0.323	1.534	-0.897

	C1	Br2	Cl3	H4	H5
C1		1.9323	1.7599	1.0814	1.0814
Br2	1.9323		3.0790	2.4786	2.4786
Cl3	1.7599	3.0790		2.3425	2.3425
H4	1.0814	2.4786	2.3425		1.7932
H5	1.0814	2.4786	2.3425	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.927	Br2	C1	H4	107.263
Br2	C1	H5	107.263	Cl3	C1	H4	108.710
Cl3	C1	H5	108.710	H4	C1	H5	112.016

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

using model chemistry: M06-2X/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	-0.378
2	Br	-0.015
3	Cl	-0.112
4	H	0.252
5	H	0.252

	x	y	z	Total
	0.770	1.395	0.000	1.593
CHELPG
AIM
ESP

	x	y	z
x	8.406	-1.408	0.000
y	-1.408	7.475	0.000
z	0.000	0.000	5.843

<r²>	146.288
(<r²>)^1/2	12.095

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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