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	hartrees
Energy at 0K	-1410.410607
Energy at 298.15K	-1410.412392
HF Energy	-1410.410607
Nuclear repulsion energy	262.412816

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	3388	3058	1.36	69.98	0.31	0.47
2	A₁	693	626	8.37	16.59	0.01	0.02
3	A₁	388	350	0.60	10.64	0.22	0.37
4	E	1390	1254	20.75	8.44	0.75	0.86
4	E	1390	1254	20.75	8.44	0.75	0.86
5	E	802	724	135.37	13.68	0.75	0.86
5	E	802	724	135.37	13.68	0.75	0.86
6	E	284	257	0.24	5.31	0.75	0.86
6	E	284	257	0.24	5.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.462
H2	0.000	0.000	1.532
Cl3	0.000	1.690	-0.084
Cl4	1.464	-0.845	-0.084
Cl5	-1.464	-0.845	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0694	1.7763	1.7763	1.7763
H2	1.0694		2.3385	2.3385	2.3385
Cl3	1.7763	2.3385		2.9271	2.9271
Cl4	1.7763	2.3385	2.9271		2.9271
Cl5	1.7763	2.3385	2.9271	2.9271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.934	H2	C1	Cl4	107.934
H2	C1	Cl5	107.934	Cl3	C1	Cl4	110.964
Cl3	C1	Cl5	110.964	Cl4	C1	Cl5	110.964

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: HF/3-21G*

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	-0.505
2	H	0.349
3	Cl	0.052
4	Cl	0.052
5	Cl	0.052

	x	y	z	Total
	0.000	0.000	1.404	1.404
CHELPG	0.000	0.002	1.606	1.606
AIM
ESP

<r²>	177.533
(<r²>)^1/2	13.324

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)