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	hartrees
Energy at 0K	-795.935071
Energy at 298.15K
HF Energy	-795.209040
Nuclear repulsion energy	161.581376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3258	2.49
2	A'	1522	1522	0.02
3	A'	1291	1291	74.80
4	A'	805	805	78.70
5	A'	591	591	9.16
6	A'	208	208	0.34
7	A"	3340	3340	1.22
8	A"	1202	1202	0.02
9	A"	842	842	4.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.786	-1.057	0.000
Cl2	-0.440	-2.311	0.000
I3	0.000	0.905	0.000
H4	1.384	-1.158	0.885
H5	1.384	-1.158	-0.885

	C1	Cl2	I3	H4	H5
C1		1.7546	2.1131	1.0730	1.0730
Cl2	1.7546		3.2457	2.3327	2.3327
I3	2.1131	3.2457		2.6374	2.6374
H4	1.0730	2.3327	2.6374		1.7703
H5	1.0730	2.3327	2.6374	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.788	Cl2	C1	H4	108.769
Cl2	C1	H5	108.769	I3	C1	H4	107.184
I3	C1	H5	107.184	H4	C1	H5	111.166

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)