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	hartrees
Energy at 0K	-7386.664342
Energy at 298.15K
HF Energy	-7386.600671
Nuclear repulsion energy	279.299429

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'	3195	3195	1.48	94.11	0.09	0.17
2	A'	1497	1497	1.26	20.82	0.71	0.83
3	A'	1250	1250	74.01	1.19	0.52	0.68
4	A'	639	639	104.29	13.66	0.53	0.69
5	A'	535	535	6.16	18.92	0.22	0.36
6	A'	186	186	0.58	11.09	0.54	0.70
7	A"	3288	3288	0.46	60.63	0.75	0.86
8	A"	1143	1143	0.01	17.33	0.75	0.86
9	A"	802	802	7.69	6.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.845	-1.067	0.000
Cl2	-0.466	-2.434	0.000
I3	0.000	0.947	0.000
H4	1.426	-1.208	0.902
H5	1.426	-1.208	-0.902

	C1	Cl2	I3	H4	H5
C1		1.8936	2.1847	1.0824	1.0824
Cl2	1.8936		3.4128	2.4283	2.4283
I3	2.1847	3.4128		2.7373	2.7373
H4	1.0824	2.4283	2.7373		1.8048
H5	1.0824	2.4283	2.7373	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.418	Cl2	C1	H4	106.133
Cl2	C1	H5	106.133	I3	C1	H4	109.115
I3	C1	H5	109.115	H4	C1	H5	112.963

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)