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	hartrees
Energy at 0K	-3071.911305
Energy at 298.15K	-3071.916585
HF Energy	-3070.967080
Nuclear repulsion energy	218.922434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	3136
2	A'	1464	1464
3	A'	1264	1264
4	A'	763	763
5	A'	632	632
6	A'	229	229
7	A"	3216	3216
8	A"	1161	1161
9	A"	860	860

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.022	0.000
Br2	0.839	-0.718	0.000
Cl3	-1.765	0.937	0.000
H4	0.322	1.535	0.895
H5	0.322	1.535	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9317	1.7666	1.0805	1.0805
Br2	1.9317		3.0850	2.4789	2.4789
Cl3	1.7666	3.0850		2.3477	2.3477
H4	1.0805	2.4789	2.3477		1.7894
H5	1.0805	2.4789	2.3477	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.982	Br2	C1	H4	107.363
Br2	C1	H5	107.363	Cl3	C1	H4	108.688
Cl3	C1	H5	108.688	H4	C1	H5	111.800

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

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