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	hartrees
Energy at 0K	-8297.623209
Energy at 298.15K
HF Energy	-8297.320725
Nuclear repulsion energy	736.909872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	699	668	111.43	4.42	0.27	0.42
2	A₁	351	335	0.04	16.54	0.01	0.03
3	A₁	202	193	1.23	8.36	0.51	0.67
4	E	671	641	106.71	5.98	0.75	0.86
4	E	671	641	106.71	5.98	0.75	0.86
5	E	261	249	0.01	7.92	0.75	0.86
5	E	261	249	0.01	7.92	0.75	0.86
6	E	164	156	0.02	6.01	0.75	0.86
6	E	164	156	0.02	6.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.733
I2	0.000	0.000	1.454
Cl3	0.000	1.760	-1.425
Cl4	1.525	-0.880	-1.425
Cl5	-1.525	-0.880	-1.425

	C1	I2	Cl3	Cl4	Cl5
C1		2.1871	1.8914	1.8914	1.8914
I2	2.1871		3.3744	3.3744	3.3744
Cl3	1.8914	3.3744		3.0491	3.0491
Cl4	1.8914	3.3744	3.0491		3.0491
Cl5	1.8914	3.3744	3.0491	3.0491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	111.452	I2	C1	Cl4	111.452
I2	C1	Cl5	111.452	Cl3	C1	Cl4	107.420
Cl3	C1	Cl5	107.420	Cl4	C1	Cl5	107.420

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2=FULL/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 CCl3I (trichloroiodomethane)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)