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	hartrees
Energy at 0K	-1417.431657
Energy at 298.15K	-1417.431697
HF Energy	-1416.869460
Nuclear repulsion energy	263.076018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2376	2249	0.81
2	A₁	682	646	6.38
3	A₁	383	363	0.66
4	E	992	939	73.23
4	E	992	939	73.23
5	E	796	753	79.47
5	E	796	753	79.46
6	E	275	260	0.26
6	E	275	260	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.452
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		1.0869	1.7692	1.7692	1.7692
H2	1.0869		2.3402	2.3402	2.3402
Cl3	1.7692	2.3402		2.9205	2.9205
Cl4	1.7692	2.3402	2.9205		2.9205
Cl5	1.7692	2.3402	2.9205	2.9205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.631	D2	C1	Cl4	107.631
D2	C1	Cl5	107.631	Cl3	C1	Cl4	111.247
Cl3	C1	Cl5	111.247	Cl4	C1	Cl5	111.247

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)