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	hartrees
Energy at 0K	-3529.660534
Energy at 298.15K
HF Energy	-3529.578793
Nuclear repulsion energy	381.997358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3268	3268	0.34	79.36	0.26	0.42
2	A'	1214	1214	37.02	9.93	0.75	0.85
3	A'	668	668	135.78	7.98	0.42	0.59
4	A'	570	570	13.52	10.82	0.03	0.06
5	A'	309	309	0.42	13.18	0.28	0.43
6	A'	211	211	0.13	7.91	0.65	0.79
7	A"	1248	1248	22.26	10.44	0.75	0.86
8	A"	687	687	155.02	6.78	0.75	0.86
9	A"	208	208	0.13	7.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.690	-0.119	0.000
H2	-1.604	0.460	0.000
Br3	0.835	1.139	0.000
Cl4	-0.690	-1.165	1.525
Cl5	-0.690	-1.165	-1.525

	C1	H2	Br3	Cl4	Cl5
C1		1.0816	1.9766	1.8495	1.8495
H2	1.0816		2.5313	2.4087	2.4087
Br3	1.9766	2.5313		3.1557	3.1557
Cl4	1.8495	2.4087	3.1557		3.0505
Cl5	1.8495	2.4087	3.1557	3.0505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.132	H2	C1	Cl4	107.625
H2	C1	Cl5	107.625	Br3	C1	Cl4	111.086
Br3	C1	Cl5	111.086	Cl4	C1	Cl5	111.113

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

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 CHBrCl2 (Methane, bromodichloro-)

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

States and conformations

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