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	hartrees
Energy at 0K	-7343.909013
Energy at 298.15K
HF Energy	-7343.830254
Nuclear repulsion energy	284.027986

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'	3393	3016	0.04	36.67	0.14	0.25
2	A'	1650	1467	1.43	15.51	0.72	0.84
3	A'	1376	1223	69.82	1.65	0.69	0.82
4	A'	881	783	50.17	10.95	0.54	0.70
5	A'	638	567	11.38	13.09	0.21	0.35
6	A'	216	192	1.35	5.22	0.57	0.73
7	A"	3516	3126	0.00	30.68	0.75	0.86
8	A"	1277	1135	0.21	13.86	0.75	0.86
9	A"	877	779	0.08	2.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.801	-1.051	0.000
Cl2	-0.451	-2.397	0.000
I3	0.000	0.933	0.000
H4	1.429	-1.200	0.902
H5	1.429	-1.200	-0.902

	C1	Cl2	I3	H4	H5
C1		1.8380	2.1397	1.1090	1.1090
Cl2	1.8380		3.3600	2.4042	2.4042
I3	2.1397	3.3600		2.7210	2.7210
H4	1.1090	2.4042	2.7210		1.8042
H5	1.1090	2.4042	2.7210	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	115.070	Cl2	C1	H4	106.708
Cl2	C1	H5	106.708	I3	C1	H4	109.645
I3	C1	H5	109.645	H4	C1	H5	108.865

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2ClI (chloroiodomethane)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)