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	hartrees
Energy at 0K	-7384.442598
Energy at 298.15K
HF Energy	-7384.113389
Nuclear repulsion energy	284.840205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	2997	1.51
2	A'	1549	1447	0.09
3	A'	1306	1221	66.41
4	A'	724	676	78.05
5	A'	566	529	9.98
6	A'	201	188	0.31
7	A"	3286	3070	0.94
8	A"	1213	1133	0.00
9	A"	840	785	5.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.815	-1.101	0.000
Cl2	-0.454	-2.366	0.000
I3	0.000	0.929	0.000
H4	1.413	-1.206	0.897
H5	1.413	-1.206	-0.897

	C1	Cl2	I3	H4	H5
C1		1.7918	2.1869	1.0834	1.0834
Cl2	1.7918		3.3258	2.3738	2.3738
I3	2.1869	3.3258		2.7133	2.7133
H4	1.0834	2.3738	2.7133		1.7937
H5	1.0834	2.3738	2.7133	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.043	Cl2	C1	H4	108.790
Cl2	C1	H5	108.790	I3	C1	H4	107.255
I3	C1	H5	107.255	H4	C1	H5	111.745

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)