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	hartrees
Energy at 0K	-7386.904220
Energy at 298.15K
HF Energy	-7386.781408
Nuclear repulsion energy	284.009780

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'	3170	3170	1.20	80.75	0.10	0.18
2	A'	1515	1515	0.09	18.40	0.72	0.84
3	A'	1267	1267	63.07	4.44	0.28	0.44
4	A'	688	688	94.03	6.12	0.70	0.83
5	A'	546	546	14.57	21.81	0.18	0.31
6	A'	194	194	0.21	7.65	0.45	0.62
7	A"	3253	3253	1.06	55.09	0.75	0.86
8	A"	1181	1181	0.01	10.19	0.75	0.86
9	A"	817	817	6.69	2.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.815	-1.102	0.000
Cl2	-0.454	-2.375	0.000
I3	0.000	0.932	0.000
H4	1.412	-1.205	0.899
H5	1.412	-1.205	-0.899

	C1	Cl2	I3	H4	H5
C1		1.7973	2.1914	1.0844	1.0844
Cl2	1.7973		3.3385	2.3786	2.3786
I3	2.1914	3.3385		2.7151	2.7151
H4	1.0844	2.3786	2.7151		1.7988
H5	1.0844	2.3786	2.7151	1.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.279	Cl2	C1	H4	108.731
Cl2	C1	H5	108.731	I3	C1	H4	107.044
I3	C1	H5	107.044	H4	C1	H5	112.062

All results from a given calculation for CH₂ClI (chloroiodomethane)

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 CH2ClI (chloroiodomethane)

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

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)