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	hartrees
Energy at 0K	-3515.912163
Energy at 298.15K
HF Energy	-3515.737754
Nuclear repulsion energy	391.321030

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'	3225	3225	0.63	67.50	0.29	0.45
2	A'	1238	1238	29.13	7.44	0.72	0.84
3	A'	704	704	125.76	4.90	0.64	0.78
4	A'	610	610	6.03	9.92	0.01	0.02
5	A'	325	325	0.18	9.27	0.25	0.40
6	A'	223	223	0.14	5.20	0.61	0.76
7	A"	1281	1281	16.74	8.66	0.75	0.86
8	A"	701	701	143.62	4.72	0.75	0.86
9	A"	216	216	0.02	4.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.685	-0.116	0.000
H2	-1.589	0.479	0.000
Br3	0.829	1.106	0.000
Cl4	-0.685	-1.132	1.479
Cl5	-0.685	-1.132	-1.479

	C1	H2	Br3	Cl4	Cl5
C1		1.0824	1.9461	1.7943	1.7943
H2	1.0824		2.4979	2.3668	2.3668
Br3	1.9461	2.4979		3.0808	3.0808
Cl4	1.7943	2.3668	3.0808		2.9577
Cl5	1.7943	2.3668	3.0808	2.9577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.695	H2	C1	Cl4	108.158
H2	C1	Cl5	108.158	Br3	C1	Cl4	110.841
Br3	C1	Cl5	110.841	Cl4	C1	Cl5	111.012

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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