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	hartrees
Energy at 0K	-1417.549612
Energy at 298.15K	-1417.549640
HF Energy	-1416.952285
Nuclear repulsion energy	262.600774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2352	2251	1.30
2	A₁	670	641	4.14
3	A₁	379	363	0.17
4	E	977	935	77.22
4	E	977	935	77.21
5	E	778	745	98.70
5	E	778	745	98.71
6	E	275	263	0.04
6	E	275	263	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.451
H2	0.000	0.000	1.537
Cl3	0.000	1.690	-0.083
Cl4	1.463	-0.845	-0.083
Cl5	-1.463	-0.845	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0858	1.7721	1.7721	1.7721
H2	1.0858		2.3410	2.3410	2.3410
Cl3	1.7721	2.3410		2.9265	2.9265
Cl4	1.7721	2.3410	2.9265		2.9265
Cl5	1.7721	2.3410	2.9265	2.9265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.556	D2	C1	Cl4	107.556
D2	C1	Cl5	107.556	Cl3	C1	Cl4	111.317
Cl3	C1	Cl5	111.317	Cl4	C1	Cl5	111.317

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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