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	hartrees
Energy at 0K	-793.864877
Energy at 298.15K
HF Energy	-793.217758
Nuclear repulsion energy	161.000659

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'	3178	3178	1.95	90.37	0.06	0.11
2	A'	1469	1469	0.00	10.01	0.67	0.80
3	A'	1231	1231	61.19	3.49	0.14	0.25
4	A'	782	782	73.63	4.35	0.74	0.85
5	A'	575	575	9.70	18.40	0.14	0.25
6	A'	201	201	0.24	5.18	0.41	0.58
7	A"	3242	3242	1.73	44.86	0.75	0.86
8	A"	1156	1156	0.00	2.64	0.75	0.86
9	A"	811	811	4.17	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.791	-1.064	0.000
Cl2	-0.443	-2.318	0.000
I3	0.000	0.908	0.000
H4	1.389	-1.163	0.891
H5	1.389	-1.163	-0.891

	C1	Cl2	I3	H4	H5
C1		1.7587	2.1246	1.0776	1.0776
Cl2	1.7587		3.2555	2.3413	2.3413
I3	2.1246	3.2555		2.6483	2.6483
H4	1.0776	2.3413	2.6483		1.7813
H5	1.0776	2.3413	2.6483	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.596	Cl2	C1	H4	108.896
Cl2	C1	H5	108.896	I3	C1	H4	106.999
I3	C1	H5	106.999	H4	C1	H5	111.478

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2=FULL/cc-pVTZ-PP

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: MP2=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)