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	hartrees
Energy at 0K	-7384.111453
Energy at 298.15K
HF Energy	-7383.938515
Nuclear repulsion energy	278.718686

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'	3200	3055	1.84	86.70	0.11	0.19
2	A'	1518	1448	1.64	19.94	0.72	0.84
3	A'	1266	1208	67.51	0.66	0.74	0.85
4	A'	653	623	74.60	14.75	0.55	0.71
5	A'	536	512	4.29	15.41	0.22	0.36
6	A'	187	179	0.61	9.69	0.56	0.71
7	A"	3290	3140	0.24	58.85	0.75	0.86
8	A"	1154	1102	0.01	18.08	0.75	0.86
9	A"	808	771	7.11	6.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.848	-1.065	0.000
Cl2	-0.468	-2.440	0.000
I3	0.000	0.949	0.000
H4	1.432	-1.209	0.902
H5	1.432	-1.209	-0.902

	C1	Cl2	I3	H4	H5
C1		1.9028	2.1852	1.0845	1.0845
Cl2	1.9028		3.4213	2.4365	2.4365
I3	2.1852	3.4213		2.7427	2.7427
H4	1.0845	2.4365	2.7427		1.8048
H5	1.0845	2.4365	2.7427	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.446	Cl2	C1	H4	106.027
Cl2	C1	H5	106.027	I3	C1	H4	109.357
I3	C1	H5	109.357	H4	C1	H5	112.631

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)