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	hartrees
Energy at 0K	-1416.979099
Energy at 298.15K	-1416.980944
HF Energy	-1416.979099
Nuclear repulsion energy	264.836186

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	3352	3039	0.20	61.19	0.23	0.37
2	A₁	723	656	7.23	11.90	0.02	0.03
3	A₁	396	359	0.42	6.57	0.19	0.31
4	E	1367	1239	29.71	2.57	0.75	0.86
4	E	1367	1239	29.71	2.57	0.75	0.86
5	E	861	780	151.40	8.49	0.75	0.86
5	E	861	780	151.40	8.49	0.75	0.86
6	E	283	256	0.14	3.22	0.75	0.86
6	E	283	256	0.14	3.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.453
H2	0.000	0.000	1.523
Cl3	0.000	1.675	-0.083
Cl4	1.450	-0.837	-0.083
Cl5	-1.450	-0.837	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0698	1.7585	1.7585	1.7585
H2	1.0698		2.3202	2.3202	2.3202
Cl3	1.7585	2.3202		2.9010	2.9010
Cl4	1.7585	2.3202	2.9010		2.9010
Cl5	1.7585	2.3202	2.9010	2.9010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.743	H2	C1	Cl4	107.743
H2	C1	Cl5	107.743	Cl3	C1	Cl4	111.143
Cl3	C1	Cl5	111.143	Cl4	C1	Cl5	111.143

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: HF/Def2TZVPP

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	0.098
2	H	0.107
3	Cl	-0.068
4	Cl	-0.068
5	Cl	-0.068

	x	y	z	Total
	0.000	0.000	1.213	1.213
CHELPG
AIM
ESP

<r²>	174.273
(<r²>)^1/2	13.201

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)