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	hartrees
Energy at 0K	-3071.556770
Energy at 298.15K	-3071.562121
HF Energy	-3071.020363
Nuclear repulsion energy	220.065425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3013	4.49
2	A'	1522	1415	0.00
3	A'	1320	1227	59.08
4	A'	805	749	91.12
5	A'	660	614	19.33
6	A'	239	223	0.28
7	A"	3320	3087	0.35
8	A"	1212	1127	0.02
9	A"	897	834	2.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.014	0.000
Br2	0.836	-0.713	0.000
Cl3	-1.758	0.931	0.000
H4	0.319	1.528	0.888
H5	0.319	1.528	-0.888

	C1	Br2	Cl3	H4	H5
C1		1.9186	1.7598	1.0745	1.0745
Br2	1.9186		3.0707	2.4653	2.4653
Cl3	1.7598	3.0707		2.3360	2.3360
H4	1.0745	2.4653	2.3360		1.7765
H5	1.0745	2.4653	2.3360	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.121	Br2	C1	H4	107.539
Br2	C1	H5	107.539	Cl3	C1	H4	108.583
Cl3	C1	H5	108.583	H4	C1	H5	111.516

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

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

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