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	hartrees
Energy at 0K	-7343.831474
Energy at 298.15K
HF Energy	-7343.831474
Nuclear repulsion energy	287.683679

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'	3608	2946	1.58	43.10	0.17	0.29
2	A'	1752	1430	0.97	17.82	0.70	0.82
3	A'	1478	1207	91.01	0.48	0.71	0.83
4	A'	950	775	70.62	13.38	0.60	0.75
5	A'	686	560	15.20	21.28	0.21	0.35
6	A'	231	188	1.74	5.15	0.57	0.72
7	A"	3740	3053	0.91	36.79	0.75	0.86
8	A"	1360	1110	0.31	14.98	0.75	0.86
9	A"	934	763	0.13	2.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.792	-1.039	0.000
Cl2	-0.445	-2.366	0.000
I3	0.000	0.921	0.000
H4	1.409	-1.186	0.886
H5	1.409	-1.186	-0.886

	C1	Cl2	I3	H4	H5
C1		1.8141	2.1145	1.0898	1.0898
Cl2	1.8141		3.3170	2.3698	2.3698
I3	2.1145	3.3170		2.6856	2.6856
H4	1.0898	2.3698	2.6856		1.7722
H5	1.0898	2.3698	2.6856	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	114.985	Cl2	C1	H4	106.720
Cl2	C1	H5	106.720	I3	C1	H4	109.704
I3	C1	H5	109.704	H4	C1	H5	108.803

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	-0.163
2	Cl	-0.155
3	I	0.092
4	H	0.113
5	H	0.113

	x	y	z	Total
	1.986	0.550	0.000	2.061
CHELPG
AIM
ESP

	x	y	z
x	1.879	-0.065	0.000
y	-0.065	5.037	0.000
z	0.000	0.000	0.998

<r²>	190.457
(<r²>)^1/2	13.801

All results from a given calculation for CH2ClI (chloroiodomethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)