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	hartrees
Energy at 0K	-3527.870883
Energy at 298.15K	-3527.875353
HF Energy	-3527.296395
Nuclear repulsion energy	396.277639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3059	1.39
2	A'	1237	1161	43.52
3	A'	767	720	108.26
4	A'	625	587	22.03
5	A'	346	325	0.23
6	A'	233	219	0.01
7	A"	1294	1215	26.60
8	A"	818	768	125.83
9	A"	229	215	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.689	-0.118	0.000
H2	-1.575	0.504	0.000
Br3	0.833	1.087	0.000
Cl4	-0.689	-1.113	1.451
Cl5	-0.689	-1.113	-1.451

	C1	H2	Br3	Cl4	Cl5
C1		1.0821	1.9415	1.7593	1.7593
H2	1.0821		2.4777	2.3459	2.3459
Br3	1.9415	2.4777		3.0438	3.0438
Cl4	1.7593	2.3459	3.0438		2.9011
Cl5	1.7593	2.3459	3.0438	2.9011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.573	H2	C1	Cl4	108.963
H2	C1	Cl5	108.963	Br3	C1	Cl4	110.567
Br3	C1	Cl5	110.567	Cl4	C1	Cl5	111.077

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: MP2=FULL/6-31+G**

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)