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	hartrees
Energy at 0K	-8298.329993
Energy at 298.15K
HF Energy	-8297.714570
Nuclear repulsion energy	759.474947

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	705	670	139.52	13.73	0.55	0.71
2	A₁	400	381	0.05	13.36	0.01	0.02
3	A₁	213	203	0.11	7.74	0.38	0.56
4	E	723	688	109.29	2.54	0.75	0.86
4	E	723	688	109.29	2.54	0.75	0.86
5	E	289	275	0.01	4.67	0.75	0.86
5	E	289	275	0.01	4.67	0.75	0.86
6	E	176	167	0.02	3.38	0.75	0.86
6	E	176	167	0.02	3.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.784
I2	0.000	0.000	1.423
Cl3	0.000	1.691	-1.386
Cl4	1.464	-0.845	-1.386
Cl5	-1.464	-0.845	-1.386

	C1	I2	Cl3	Cl4	Cl5
C1		2.2070	1.7946	1.7946	1.7946
I2	2.2070		3.2782	3.2782	3.2782
Cl3	1.7946	3.2782		2.9285	2.9285
Cl4	1.7946	3.2782	2.9285		2.9285
Cl5	1.7946	3.2782	2.9285	2.9285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.585	I2	C1	Cl4	109.585
I2	C1	Cl5	109.585	Cl3	C1	Cl4	109.358
Cl3	C1	Cl5	109.358	Cl4	C1	Cl5	109.358

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)