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	hartrees
Energy at 0K	-3532.619556
Energy at 298.15K
HF Energy	-3532.286848
Nuclear repulsion energy	392.450071

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'	3214	3214	0.10	63.56	0.26	0.41
2	A'	1213	1213	44.59	6.23	0.66	0.80
3	A'	725	725	136.89	4.89	0.67	0.80
4	A'	605	605	21.99	9.88	0.06	0.11
5	A'	336	336	0.07	9.09	0.27	0.43
6	A'	226	226	0.06	6.37	0.58	0.73
7	A"	1271	1271	26.45	5.87	0.75	0.86
8	A"	764	764	166.93	3.02	0.75	0.86
9	A"	220	220	0.00	5.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.668	-0.148	0.000
H2	-1.576	0.439	0.000
Br3	0.809	1.125	0.000
Cl4	-0.668	-1.145	1.467
Cl5	-0.668	-1.145	-1.467

	C1	H2	Br3	Cl4	Cl5
C1		1.0810	1.9500	1.7741	1.7741
H2	1.0810		2.4808	2.3426	2.3426
Br3	1.9500	2.4808		3.0806	3.0806
Cl4	1.7741	2.3426	3.0806		2.9346
Cl5	1.7741	2.3426	3.0806	2.9346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.299	H2	C1	Cl4	107.788
H2	C1	Cl5	107.788	Br3	C1	Cl4	111.539
Br3	C1	Cl5	111.539	Cl4	C1	Cl5	111.598

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

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

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