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	hartrees
Energy at 0K	-3530.910384
Energy at 298.15K
HF Energy	-3529.943818
Nuclear repulsion energy	397.917459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3286	3.31
2	A'	1245	1245	30.45
3	A'	782	782	95.35
4	A'	635	635	7.91
5	A'	342	342	0.13
6	A'	230	230	0.08
7	A"	1279	1279	18.19
8	A"	821	821	107.49
9	A"	223	223	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.664	-0.132	0.000
H2	-1.561	0.452	0.000
Br3	0.803	1.102	0.000
Cl4	-0.664	-1.125	1.450
Cl5	-0.664	-1.125	-1.450

	C1	H2	Br3	Cl4	Cl5
C1		1.0705	1.9167	1.7571	1.7571
H2	1.0705		2.4517	2.3222	2.3222
Br3	1.9167	2.4517		3.0350	3.0350
Cl4	1.7571	2.3222	3.0350		2.8995
Cl5	1.7571	2.3222	3.0350	2.8995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.877	H2	C1	Cl4	107.952
H2	C1	Cl5	107.952	Br3	C1	Cl4	111.327
Br3	C1	Cl5	111.327	Cl4	C1	Cl5	111.191

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

using model chemistry: MP3=FULL/aug-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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

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