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	hartrees
Energy at 0K	-1417.028523
Energy at 298.15K	-1417.028294
HF Energy	-1416.776512
Nuclear repulsion energy	251.255313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2381	2285	0.29
2	A₁	591	567	7.45
3	A₁	337	324	0.93
4	E	923	886	40.06
4	E	923	886	40.07
5	E	698	669	86.03
5	E	698	669	86.03
6	E	245	235	0.46
6	E	245	235	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.480
H2	0.000	0.000	1.567
Cl3	0.000	1.767	-0.087
Cl4	1.530	-0.883	-0.087
Cl5	-1.530	-0.883	-0.087

	C1	H2	Cl3	Cl4	Cl5
C1		1.0869	1.8556	1.8556	1.8556
H2	1.0869		2.4202	2.4202	2.4202
Cl3	1.8556	2.4202		3.0603	3.0603
Cl4	1.8556	2.4202	3.0603		3.0603
Cl5	1.8556	2.4202	3.0603	3.0603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.795	D2	C1	Cl4	107.795
D2	C1	Cl5	107.795	Cl3	C1	Cl4	111.095
Cl3	C1	Cl5	111.095	Cl4	C1	Cl5	111.095

All results from a given calculation for CDCl₃ (trichloromethane-d)

using model chemistry: CCD/6-31G

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 CDCl3 (trichloromethane-d)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for CDCl₃ (trichloromethane-d)