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	hartrees
Energy at 0K	-1418.723553
Energy at 298.15K	-1418.725122
HF Energy	-1418.723553
Nuclear repulsion energy	255.000837

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	3263	3121	0.36	77.27	0.26	0.42
2	A₁	638	611	9.35	13.24	0.00	0.00
3	A₁	356	340	0.82	13.49	0.27	0.42
4	E	1256	1202	21.97	10.13	0.75	0.86
4	E	1256	1202	21.97	10.12	0.75	0.86
5	E	720	689	187.25	4.85	0.75	0.86
5	E	720	689	187.26	4.85	0.75	0.86
6	E	254	243	0.26	7.98	0.75	0.86
6	E	254	243	0.26	7.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.471
H2	0.000	0.000	1.555
Cl3	0.000	1.741	-0.086
Cl4	1.507	-0.870	-0.086
Cl5	-1.507	-0.870	-0.086

	C1	H2	Cl3	Cl4	Cl5
C1		1.0833	1.8276	1.8276	1.8276
H2	1.0833		2.3919	2.3919	2.3919
Cl3	1.8276	2.3919		3.0147	3.0147
Cl4	1.8276	2.3919	3.0147		3.0147
Cl5	1.8276	2.3919	3.0147	3.0147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.754	H2	C1	Cl4	107.754
H2	C1	Cl5	107.754	Cl3	C1	Cl4	111.132
Cl3	C1	Cl5	111.132	Cl4	C1	Cl5	111.132

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: HSEh1PBE/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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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	-0.703
2	H	0.324
3	Cl	0.127
4	Cl	0.127
5	Cl	0.127

	x	y	z	Total
	0.000	0.000	1.572	1.572
CHELPG
AIM
ESP

<r²>	186.380
(<r²>)^1/2	13.652

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)