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	hartrees
Energy at 0K	-1417.582224
Energy at 298.15K	-1417.582176
HF Energy	-1416.956465
Nuclear repulsion energy	261.042532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2363	2276
2	A₁	654	630
3	A₁	367	353
4	E	947	912
4	E	947	912
5	E	751	723
5	E	751	723
6	E	262	253
6	E	262	253

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.457
H2	0.000	0.000	1.539
Cl3	0.000	1.700	-0.084
Cl4	1.472	-0.850	-0.084
Cl5	-1.472	-0.850	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0824	1.7837	1.7837	1.7837
H2	1.0824		2.3503	2.3503	2.3503
Cl3	1.7837	2.3503		2.9441	2.9441
Cl4	1.7837	2.3503	2.9441		2.9441
Cl5	1.7837	2.3503	2.9441	2.9441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.648	D2	C1	Cl4	107.648
D2	C1	Cl5	107.648	Cl3	C1	Cl4	111.231
Cl3	C1	Cl5	111.231	Cl4	C1	Cl5	111.231

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

using model chemistry: QCISD(T)/TZVP

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: QCISD(T)/TZVP

States and conformations

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