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	hartrees
Energy at 0K	-1417.931590
Energy at 298.15K	-1417.931557
HF Energy	-1417.000447
Nuclear repulsion energy	263.523548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2364	2265
2	A₁	662	634
3	A₁	367	352
4	E	936	897
4	E	936	897
5	E	765	733
5	E	765	733
6	E	262	251
6	E	262	251

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.459
H2	0.000	0.000	1.534
Cl3	0.000	1.683	-0.084
Cl4	1.457	-0.841	-0.084
Cl5	-1.457	-0.841	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0750	1.7681	1.7681	1.7681
H2	1.0750		2.3344	2.3344	2.3344
Cl3	1.7681	2.3344		2.9145	2.9145
Cl4	1.7681	2.3344	2.9145		2.9145
Cl5	1.7681	2.3344	2.9145	2.9145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.887	D2	C1	Cl4	107.887
D2	C1	Cl5	107.887	Cl3	C1	Cl4	111.008
Cl3	C1	Cl5	111.008	Cl4	C1	Cl5	111.008

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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