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	hartrees
Energy at 0K	-3529.955627
Energy at 298.15K
HF Energy	-3529.768721
Nuclear repulsion energy	392.847633

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'	3232	3232	0.20	68.04	0.28	0.44
2	A'	1218	1218	40.76	6.08	0.64	0.78
3	A'	730	730	125.28	4.71	0.63	0.77
4	A'	607	607	26.18	10.22	0.05	0.10
5	A'	336	336	0.32	8.39	0.24	0.39
6	A'	226	226	0.00	5.28	0.56	0.72
7	A"	1276	1276	26.35	7.17	0.75	0.86
8	A"	778	778	151.28	3.15	0.75	0.86
9	A"	221	221	0.04	4.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.677	-0.141	0.000
H2	-1.576	0.462	0.000
Br3	0.819	1.113	0.000
Cl4	-0.677	-1.135	1.468
Cl5	-0.677	-1.135	-1.468

	C1	H2	Br3	Cl4	Cl5
C1		1.0823	1.9528	1.7724	1.7724
H2	1.0823		2.4816	2.3477	2.3477
Br3	1.9528	2.4816		3.0735	3.0735
Cl4	1.7724	2.3477	3.0735		2.9360
Cl5	1.7724	2.3477	3.0735	2.9360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.119	H2	C1	Cl4	108.212
H2	C1	Cl5	108.212	Br3	C1	Cl4	111.100
Br3	C1	Cl5	111.100	Cl4	C1	Cl5	111.845

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

using model chemistry: B2PLYP=FULLultrafine/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=FULLultrafine/6-31G**

States and conformations

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