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	hartrees
Energy at 0K	-50.112987
Energy at 298.15K
HF Energy	-50.112987
Nuclear repulsion energy	58.410896

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.457
H2	0.000	0.000	1.530
Cl3	0.000	1.688	-0.084
Cl4	1.462	-0.844	-0.084
Cl5	-1.462	-0.844	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0736	1.7726	1.7726	1.7726
H2	1.0736		2.3357	2.3357	2.3357
Cl3	1.7726	2.3357		2.9239	2.9239
Cl4	1.7726	2.3357	2.9239		2.9239
Cl5	1.7726	2.3357	2.9239	2.9239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.760	D2	C1	Cl4	107.760
D2	C1	Cl5	107.760	Cl3	C1	Cl4	111.127
Cl3	C1	Cl5	111.127	Cl4	C1	Cl5	111.127

Number	Element	Mulliken
1	C	-0.041
2	H	0.255
3	Cl	-0.072
4	Cl	-0.072
5	Cl	-0.072

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

using model chemistry: HF/CEP-121G*

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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<r²>	89.415
(<r²>)^1/2	9.456

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

using model chemistry: HF/CEP-121G*

States and conformations

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