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	hartrees
Energy at 0K	-1416.778444
Energy at 298.15K
HF Energy	-1416.778444
Nuclear repulsion energy	256.129416

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.470
H2	0.000	0.000	1.537
Cl3	0.000	1.733	-0.085
Cl4	1.501	-0.867	-0.085
Cl5	-1.501	-0.867	-0.085

	C1	H2	Cl3	Cl4	Cl5
C1		1.0671	1.8202	1.8202	1.8202
H2	1.0671		2.3744	2.3744	2.3744
Cl3	1.8202	2.3744		3.0021	3.0021
Cl4	1.8202	2.3744	3.0021		3.0021
Cl5	1.8202	2.3744	3.0021	3.0021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.776	D2	C1	Cl4	107.776
D2	C1	Cl5	107.776	Cl3	C1	Cl4	111.112
Cl3	C1	Cl5	111.112	Cl4	C1	Cl5	111.112

Number	Element	Mulliken
1	C	-0.650
2	H	0.321
3	Cl	0.110
4	Cl	0.110
5	Cl	0.110

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

using model chemistry: HF/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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<r²>	185.637
(<r²>)^1/2	13.625

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

using model chemistry: HF/6-31G

States and conformations

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