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	hartrees
Energy at 0K	-1419.209921
Energy at 298.15K	-1419.211404
HF Energy	-1419.209921
Nuclear repulsion energy	257.032955

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	3111	3087	0.14	74.94	0.30	0.46
2	A₁	633	628	6.89	10.93	0.00	0.00
3	A₁	348	346	0.33	12.48	0.22	0.36
4	E	1199	1190	28.60	7.98	0.75	0.86
4	E	1199	1190	28.59	7.98	0.75	0.86
5	E	669	664	208.54	2.50	0.75	0.86
5	E	669	664	208.56	2.50	0.75	0.86
6	E	248	246	0.04	6.26	0.75	0.86
6	E	248	246	0.04	6.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
H2	0.000	0.000	1.550
Cl3	0.000	1.727	-0.084
Cl4	1.496	-0.864	-0.084
Cl5	-1.496	-0.864	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0922	1.8106	1.8106	1.8106
H2	1.0922		2.3782	2.3782	2.3782
Cl3	1.8106	2.3782		2.9920	2.9920
Cl4	1.8106	2.3782	2.9920		2.9920
Cl5	1.8106	2.3782	2.9920	2.9920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.430	H2	C1	Cl4	107.430
H2	C1	Cl5	107.430	Cl3	C1	Cl4	111.433
Cl3	C1	Cl5	111.433	Cl4	C1	Cl5	111.433

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: BLYP/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	-0.333
2	H	0.228
3	Cl	0.035
4	Cl	0.035
5	Cl	0.035

	x	y	z	Total
	0.000	0.000	1.253	1.253
CHELPG
AIM
ESP

<r²>	183.353
(<r²>)^1/2	13.541

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)