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	hartrees
Energy at 0K	-1417.466698
Energy at 298.15K	-1417.466729
HF Energy	-1416.869468
Nuclear repulsion energy	263.098015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2373	2254	0.81
2	A₁	680	645	6.23
3	A₁	382	363	0.63
4	E	986	936	73.11
4	E	986	936	73.11
5	E	790	750	84.92
5	E	790	750	84.91
6	E	274	261	0.23
6	E	274	261	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.453
H2	0.000	0.000	1.539
Cl3	0.000	1.686	-0.083
Cl4	1.460	-0.843	-0.083
Cl5	-1.460	-0.843	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0866	1.7691	1.7691	1.7691
H2	1.0866		2.3400	2.3400	2.3400
Cl3	1.7691	2.3400		2.9202	2.9202
Cl4	1.7691	2.3400	2.9202		2.9202
Cl5	1.7691	2.3400	2.9202	2.9202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.638	D2	C1	Cl4	107.638
D2	C1	Cl5	107.638	Cl3	C1	Cl4	111.240
Cl3	C1	Cl5	111.240	Cl4	C1	Cl5	111.240

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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