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	hartrees
Energy at 0K	-1419.389741
Energy at 298.15K	-1419.391263
HF Energy	-1419.389741
Nuclear repulsion energy	259.120668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3134	3088	0.11	73.18	0.25	0.40
2	A₁	641	632	6.71	9.76	0.00	0.00
3	A₁	353	348	0.18	11.45	0.24	0.39
4	E	1207	1190	30.70	4.56	0.75	0.86
4	E	1207	1190	30.71	4.56	0.75	0.86
5	E	673	664	215.88	3.68	0.75	0.86
5	E	673	664	215.87	3.69	0.75	0.86
6	E	251	248	0.09	6.68	0.75	0.86
6	E	251	248	0.09	6.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.456
H2	0.000	0.000	1.541
Cl3	0.000	1.713	-0.084
Cl4	1.484	-0.857	-0.084
Cl5	-1.484	-0.857	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0857	1.7961	1.7961	1.7961
H2	1.0857		2.3614	2.3614	2.3614
Cl3	1.7961	2.3614		2.9674	2.9674
Cl4	1.7961	2.3614	2.9674		2.9674
Cl5	1.7961	2.3614	2.9674	2.9674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.478	H2	C1	Cl4	107.478
H2	C1	Cl5	107.478	Cl3	C1	Cl4	111.388
Cl3	C1	Cl5	111.388	Cl4	C1	Cl5	111.388

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: B97D3/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.121
2	H	0.213
3	Cl	-0.030
4	Cl	-0.030
5	Cl	-0.030

	x	y	z	Total
	0.000	0.000	1.184	1.184
CHELPG
AIM
ESP

<r²>	180.759
(<r²>)^1/2	13.445

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)