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	hartrees
Energy at 0K	-3493.894403
Energy at 298.15K
HF Energy	-3493.861255
Nuclear repulsion energy	384.689299

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'	3392	3392	0.48	37.53	0.36	0.53
2	A'	1303	1303	37.51	7.86	0.72	0.84
3	A'	853	853	103.51	7.34	0.35	0.52
4	A'	651	651	14.51	8.27	0.01	0.01
5	A'	334	334	2.56	6.53	0.30	0.46
6	A'	222	222	2.02	3.95	0.71	0.83
7	A"	1296	1296	25.34	7.68	0.75	0.86
8	A"	864	864	108.55	8.37	0.75	0.86
9	A"	218	218	0.59	4.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.650	-0.121	0.000
H2	-1.627	0.409	0.000
Br3	0.790	1.161	0.000
Cl4	-0.650	-1.186	1.512
Cl5	-0.650	-1.186	-1.512

	C1	H2	Br3	Cl4	Cl5
C1		1.1118	1.9276	1.8497	1.8497
H2	1.1118		2.5311	2.4057	2.4057
Br3	1.9276	2.5311		3.1415	3.1415
Cl4	1.8497	2.4057	3.1415		3.0240
Cl5	1.8497	2.4057	3.1415	3.0240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.839	H2	C1	Cl4	105.942
H2	C1	Cl5	105.942	Br3	C1	Cl4	112.523
Br3	C1	Cl5	112.523	Cl4	C1	Cl5	109.657

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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/STO-3G

States and conformations

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