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	hartrees
Energy at 0K	-793.820203
Energy at 298.15K
HF Energy	-793.217761
Nuclear repulsion energy	160.038682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3154	2.98
2	A'	1467	1467	0.03
3	A'	1237	1237	69.43
4	A'	769	769	74.25
5	A'	565	565	9.66
6	A'	199	199	0.30
7	A"	3233	3233	0.59
8	A"	1153	1153	0.00
9	A"	811	811	3.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.795	-1.069	0.000
Cl2	-0.445	-2.333	0.000
I3	0.000	0.914	0.000
H4	1.395	-1.171	0.894
H5	1.395	-1.171	-0.894

	C1	Cl2	I3	H4	H5
C1		1.7703	2.1360	1.0814	1.0814
Cl2	1.7703		3.2767	2.3524	2.3524
I3	2.1360	3.2767		2.6632	2.6632
H4	1.0814	2.3524	2.6632		1.7870
H5	1.0814	2.3524	2.6632	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.704	Cl2	C1	H4	108.743
Cl2	C1	H5	108.743	I3	C1	H4	107.126
I3	C1	H5	107.126	H4	C1	H5	111.430

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: QCISD/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: QCISD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)