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	hartrees
Energy at 0K
Energy at 298.15K	0.012452
HF Energy	0.012452
Nuclear repulsion energy	58.841171

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'	3073	2993	8.44	101.35	0.14	0.24
2	A'	1348	1313	16.17	26.35	0.48	0.65
3	A'	1199	1168	209.80	65.68	0.29	0.45
4	A'	764	744	113.36	136.85	0.32	0.48
5	A'	681	663	61.71	55.74	0.74	0.85
6	A'	253	246	0.47	12.92	0.71	0.83
7	A"	3037	2958	10.71	77.19	0.75	0.86
8	A"	1048	1021	0.40	30.03	0.75	0.86
9	A"	874	851	0.28	14.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.863	-1.003	0.000
Cl2	-0.480	-2.073	0.000
I3	0.000	0.820	0.000
H4	1.493	-1.114	0.898
H5	1.493	-1.114	-0.898

	C1	Cl2	I3	H4	H5
C1		1.7168	2.0176	1.1025	1.1025
Cl2	1.7168		2.9326	2.3704	2.3704
I3	2.0176	2.9326		2.6037	2.6037
H4	1.1025	2.3704	2.6037		1.7953
H5	1.1025	2.3704	2.6037	1.7953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	103.203	Cl2	C1	H4	112.620
Cl2	C1	H5	112.620	I3	C1	H4	109.609
I3	C1	H5	109.609	H4	C1	H5	109.014

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: PM3

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: PM3

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)