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	hartrees
Energy at 0K	-1419.168369
Energy at 298.15K	-1419.168349
HF Energy	-1419.168369
Nuclear repulsion energy	262.926693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2367	2254	0.03
2	A₁	665	633	5.81
3	A₁	376	358	0.51
4	E	946	901	81.48
4	E	946	901	82.04
5	E	770	733	109.66
5	E	770	733	107.72
6	E	266	253	0.17
6	E	266	253	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.456
H2	0.000	0.000	1.542
Cl3	0.000	1.687	-0.084
Cl4	1.461	-0.843	-0.084
Cl5	-1.461	-0.843	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0857	1.7710	1.7710	1.7710
H2	1.0857		2.3427	2.3427	2.3427
Cl3	1.7710	2.3427		2.9213	2.9213
Cl4	1.7710	2.3427	2.9213		2.9213
Cl5	1.7710	2.3427	2.9213	2.9213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.757	D2	C1	Cl4	107.757
D2	C1	Cl5	107.757	Cl3	C1	Cl4	111.130
Cl3	C1	Cl5	111.130	Cl4	C1	Cl5	111.130

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

using model chemistry: M06-2X/6-31+G**

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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Number	Element	Mulliken
1	C	-0.476
2	H	0.287
3	Cl	0.063
4	Cl	0.063
5	Cl	0.063

	x	y	z	Total
	0.000	0.000	1.283	1.283
CHELPG
AIM
ESP

	x	y	z
x	7.837	0.000	0.000
y	0.000	7.847	-0.002
z	0.000	-0.002	5.176

<r²>	176.556
(<r²>)^1/2	13.287

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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