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	hartrees
Energy at 0K	-7384.127753
Energy at 298.15K
HF Energy	-7383.938529
Nuclear repulsion energy	278.796037

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'	3201	3056	1.82	86.60	0.11	0.19
2	A'	1517	1449	1.64	19.96	0.72	0.84
3	A'	1265	1208	67.10	0.66	0.74	0.85
4	A'	653	624	74.28	14.80	0.55	0.71
5	A'	536	512	4.16	15.38	0.22	0.36
6	A'	187	179	0.62	9.69	0.56	0.71
7	A"	3291	3142	0.25	58.83	0.75	0.86
8	A"	1154	1101	0.01	18.10	0.75	0.86
9	A"	807	771	7.16	6.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.848	-1.064	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		1.9033	2.1840	1.0843	1.0843
Cl2	1.9033		3.4204	2.4364	2.4364
I3	2.1840	3.4204		2.7419	2.7419
H4	1.0843	2.4364	2.7419		1.8044
H5	1.0843	2.4364	2.7419	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.441	Cl2	C1	H4	106.005
Cl2	C1	H5	106.005	I3	C1	H4	109.386
I3	C1	H5	109.386	H4	C1	H5	112.617

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)