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	hartrees
Energy at 0K	-3532.500076
Energy at 298.15K
HF Energy	-3532.296089
Nuclear repulsion energy	392.054480

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'	3202	3080	2.75	62.92	0.18	0.31
2	A'	1186	1141	33.05	3.41	0.54	0.70
3	A'	720	693	120.67	6.40	0.63	0.77
4	A'	604	581	20.00	14.59	0.05	0.10
5	A'	330	318	0.12	7.41	0.13	0.23
6	A'	222	214	0.01	3.89	0.49	0.66
7	A"	1219	1172	18.40	2.21	0.75	0.86
8	A"	757	729	139.82	4.01	0.75	0.86
9	A"	216	207	0.00	2.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.678	-0.133	0.000
H2	-1.589	0.465	0.000
Br3	0.821	1.115	0.000
Cl4	-0.678	-1.138	1.469
Cl5	-0.678	-1.138	-1.469

	C1	H2	Br3	Cl4	Cl5
C1		1.0896	1.9506	1.7806	1.7806
H2	1.0896		2.4959	2.3581	2.3581
Br3	1.9506	2.4959		3.0800	3.0800
Cl4	1.7806	2.3581	3.0800		2.9389
Cl5	1.7806	2.3581	3.0800	2.9389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.922	H2	C1	Cl4	108.060
H2	C1	Cl5	108.060	Br3	C1	Cl4	111.186
Br3	C1	Cl5	111.186	Cl4	C1	Cl5	111.229

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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