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	hartrees
Energy at 0K	-3070.519137
Energy at 298.15K	-3070.524403
HF Energy	-3070.382282
Nuclear repulsion energy	217.247718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3020	5.05
2	A'	1504	1426	0.46
3	A'	1297	1230	66.03
4	A'	753	715	98.14
5	A'	609	578	34.56
6	A'	232	220	0.25
7	A"	3270	3101	0.01
8	A"	1188	1127	0.00
9	A"	875	830	3.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.031	0.000
Br2	0.842	-0.729	0.000
Cl3	-1.772	0.956	0.000
H4	0.331	1.540	0.899
H5	0.331	1.540	-0.899

	C1	Br2	Cl3	H4	H5
C1		1.9511	1.7739	1.0847	1.0847
Br2	1.9511		3.1101	2.4936	2.4936
Cl3	1.7739	3.1101		2.3610	2.3610
H4	1.0847	2.4936	2.3610		1.7974
H5	1.0847	2.4936	2.3610	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.129	Br2	C1	H4	106.953
Br2	C1	H5	106.953	Cl3	C1	H4	108.975
Cl3	C1	H5	108.975	H4	C1	H5	111.886

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

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

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