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	hartrees
Energy at 0K	-793.891038
Energy at 298.15K
HF Energy	-793.217864
Nuclear repulsion energy	160.537391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3209	1.93
2	A'	1486	1486	0.01
3	A'	1247	1247	64.13
4	A'	782	782	70.86
5	A'	571	571	8.18
6	A'	201	201	0.32
7	A"	3266	3266	1.21
8	A"	1166	1166	0.00
9	A"	813	813	3.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.791	-1.067	0.000
Cl2	-0.442	-2.327	0.000
I3	0.000	0.911	0.000
H4	1.388	-1.167	0.888
H5	1.388	-1.167	-0.888

	C1	Cl2	I3	H4	H5
C1		1.7632	2.1307	1.0746	1.0746
Cl2	1.7632		3.2687	2.3419	2.3419
I3	2.1307	3.2687		2.6522	2.6522
H4	1.0746	2.3419	2.6522		1.7755
H5	1.0746	2.3419	2.6522	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.835	Cl2	C1	H4	108.795
Cl2	C1	H5	108.795	I3	C1	H4	107.015
I3	C1	H5	107.015	H4	C1	H5	111.413

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP3=FULL/cc-pVTZ-PP

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: MP3=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)