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	hartrees
Energy at 0K	-1417.002625
Energy at 298.15K	-1417.002755
HF Energy	-1417.002625
Nuclear repulsion energy	264.366517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2470	2249	0.09
2	A₁	701	638	5.91
3	A₁	393	357	0.49
4	E	1025	933	79.34
4	E	1025	933	79.34
5	E	820	747	92.98
5	E	820	747	92.98
6	E	280	255	0.12
6	E	280	255	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.454
H2	0.000	0.000	1.524
Cl3	0.000	1.678	-0.083
Cl4	1.453	-0.839	-0.083
Cl5	-1.453	-0.839	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0693	1.7619	1.7619	1.7619
H2	1.0693		2.3233	2.3233	2.3233
Cl3	1.7619	2.3233		2.9061	2.9061
Cl4	1.7619	2.3233	2.9061		2.9061
Cl5	1.7619	2.3233	2.9061	2.9061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.770	D2	C1	Cl4	107.770
D2	C1	Cl5	107.770	Cl3	C1	Cl4	111.117
Cl3	C1	Cl5	111.117	Cl4	C1	Cl5	111.117

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

using model chemistry: HF/aug-cc-pVTZ

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	0.258
2	H	0.295
3	Cl	-0.184
4	Cl	-0.184
5	Cl	-0.184

	x	y	z	Total
	0.000	0.000	1.195	1.195
CHELPG
AIM
ESP

<r²>	174.908
(<r²>)^1/2	13.225

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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