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	hartrees
Energy at 0K	-1417.460573
Energy at 298.15K	-1417.460681
HF Energy	-1416.952528
Nuclear repulsion energy	264.086241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2427	2255	0.87
2	A₁	692	643	4.91
3	A₁	391	363	0.24
4	E	1013	942	86.79
4	E	1013	942	86.78
5	E	812	754	94.96
5	E	812	754	94.97
6	E	283	263	0.08
6	E	283	263	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.448
H2	0.000	0.000	1.526
Cl3	0.000	1.680	-0.083
Cl4	1.455	-0.840	-0.083
Cl5	-1.455	-0.840	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0779	1.7622	1.7622	1.7622
H2	1.0779		2.3264	2.3264	2.3264
Cl3	1.7622	2.3264		2.9102	2.9102
Cl4	1.7622	2.3264	2.9102		2.9102
Cl5	1.7622	2.3264	2.9102	2.9102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.544	D2	C1	Cl4	107.544
D2	C1	Cl5	107.544	Cl3	C1	Cl4	111.328
Cl3	C1	Cl5	111.328	Cl4	C1	Cl5	111.328

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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