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	hartrees
Energy at 0K	-796.072437
Energy at 298.15K
HF Energy	-795.208988
Nuclear repulsion energy	161.217093

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'	3163	3009	2.02	96.86	0.06	0.11
2	A'	1457	1387	0.04	11.27	0.65	0.78
3	A'	1226	1167	63.62	3.89	0.18	0.30
4	A'	775	737	76.17	5.15	0.74	0.85
5	A'	573	545	11.18	18.23	0.17	0.28
6	A'	201	191	0.21	5.16	0.43	0.60
7	A"	3250	3092	1.69	48.14	0.75	0.86
8	A"	1149	1093	0.01	2.37	0.75	0.86
9	A"	813	773	4.46	0.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.792	-1.060	0.000
Cl2	-0.443	-2.313	0.000
I3	0.000	0.905	0.000
H4	1.391	-1.158	0.895
H5	1.391	-1.158	-0.895

	C1	Cl2	I3	H4	H5
C1		1.7592	2.1193	1.0813	1.0813
Cl2	1.7592		3.2483	2.3454	2.3454
I3	2.1193	3.2483		2.6444	2.6444
H4	1.0813	2.3454	2.6444		1.7896
H5	1.0813	2.3454	2.6444	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.436	Cl2	C1	H4	108.970
Cl2	C1	H5	108.970	I3	C1	H4	106.902
I3	C1	H5	106.902	H4	C1	H5	111.685

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)