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	hartrees
Energy at 0K	-3071.910713
Energy at 298.15K	-3071.916037
HF Energy	-3071.030064
Nuclear repulsion energy	220.267525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3174	3.39
2	A'	1487	1487	0.05
3	A'	1291	1291	49.49
4	A'	791	791	82.90
5	A'	652	652	16.62
6	A'	235	235	0.26
7	A"	3253	3253	0.80
8	A"	1187	1187	0.01
9	A"	881	881	2.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.014	0.000
Br2	0.835	-0.712	0.000
Cl3	-1.756	0.927	0.000
H4	0.319	1.529	0.891
H5	0.319	1.529	-0.891

	C1	Br2	Cl3	H4	H5
C1		1.9172	1.7584	1.0776	1.0776
Br2	1.9172		3.0658	2.4662	2.4662
Cl3	1.7584	3.0658		2.3372	2.3372
H4	1.0776	2.4662	2.3372		1.7825
H5	1.0776	2.4662	2.3372	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.975	Br2	C1	H4	107.544
Br2	C1	H5	107.544	Cl3	C1	H4	108.611
Cl3	C1	H5	108.611	H4	C1	H5	111.599

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

using model chemistry: CCSD=FULL/cc-pVQZ

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: CCSD=FULL/cc-pVQZ

States and conformations

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