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	hartrees
Energy at 0K	-32.657575
Energy at 298.15K
HF Energy	-32.497733
Nuclear repulsion energy	32.204595

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'	3084	3010	13.69	103.37	0.08	0.15
2	A'	1430	1396	1.61	21.23	0.60	0.75
3	A'	1282	1252	81.37	2.96	0.46	0.63
4	A'	677	661	77.37	15.27	0.48	0.65
5	A'	527	515	11.24	19.44	0.26	0.42
6	A'	191	186	0.37	12.69	0.57	0.73
7	A"	3196	3119	2.54	57.66	0.75	0.86
8	A"	1142	1114	0.80	24.34	0.75	0.86
9	A"	814	794	9.11	9.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.831	-1.073	0.000
Cl2	-0.461	-2.433	0.000
I3	0.000	0.947	0.000
H4	1.425	-1.194	0.910
H5	1.425	-1.194	-0.910

	C1	Cl2	I3	H4	H5
C1		1.8762	2.1842	1.0933	1.0933
Cl2	1.8762		3.4118	2.4332	2.4332
I3	2.1842	3.4118		2.7276	2.7276
H4	1.0933	2.4332	2.7276		1.8204
H5	1.0933	2.4332	2.7276	1.8204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	114.120	Cl2	C1	H4	107.084
Cl2	C1	H5	107.084	I3	C1	H4	107.974
I3	C1	H5	107.974	H4	C1	H5	112.723

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)