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	hartrees
Energy at 0K	-60.878127
Energy at 298.15K
HF Energy	-60.617426
Nuclear repulsion energy	79.027417

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	672	656	140.29	4.16	0.50	0.66
2	A₁	368	359	0.31	17.15	0.03	0.05
3	A₁	203	198	0.32	10.18	0.54	0.70
4	E	697	681	108.29	3.60	0.75	0.86
4	E	697	681	108.29	3.60	0.75	0.86
5	E	270	264	0.01	10.20	0.75	0.86
5	E	270	264	0.01	10.20	0.75	0.86
6	E	169	165	0.10	7.78	0.75	0.86
6	E	169	165	0.10	7.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.758
I2	0.000	0.000	1.445
Cl3	0.000	1.762	-1.413
Cl4	1.526	-0.881	-1.413
Cl5	-1.526	-0.881	-1.413

	C1	I2	Cl3	Cl4	Cl5
C1		2.2039	1.8796	1.8796	1.8796
I2	2.2039		3.3578	3.3578	3.3578
Cl3	1.8796	3.3578		3.0519	3.0519
Cl4	1.8796	3.3578	3.0519		3.0519
Cl5	1.8796	3.3578	3.0519	3.0519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	110.376	I2	C1	Cl4	110.376
I2	C1	Cl5	110.376	Cl3	C1	Cl4	108.551
Cl3	C1	Cl5	108.551	Cl4	C1	Cl5	108.551

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)