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	hartrees
Energy at 0K	-1419.392132
Energy at 298.15K	-1419.393818
HF Energy	-1419.392132
Nuclear repulsion energy	263.303886

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	3207	3068	0.57	72.19	0.24	0.38
2	A₁	684	654	5.77	10.62	0.01	0.02
3	A₁	375	359	0.37	8.38	0.21	0.35
4	E	1257	1202	25.70	5.77	0.75	0.86
4	E	1257	1202	25.70	5.77	0.75	0.86
5	E	776	742	184.69	3.90	0.75	0.86
5	E	776	742	184.65	3.90	0.75	0.86
6	E	264	253	0.10	4.24	0.75	0.86
6	E	264	253	0.10	4.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.450
H2	0.000	0.000	1.534
Cl3	0.000	1.685	-0.083
Cl4	1.459	-0.843	-0.083
Cl5	-1.459	-0.843	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0845	1.7673	1.7673	1.7673
H2	1.0845		2.3356	2.3356	2.3356
Cl3	1.7673	2.3356		2.9186	2.9186
Cl4	1.7673	2.3356	2.9186		2.9186
Cl5	1.7673	2.3356	2.9186	2.9186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.546	H2	C1	Cl4	107.546
H2	C1	Cl5	107.546	Cl3	C1	Cl4	111.326
Cl3	C1	Cl5	111.326	Cl4	C1	Cl5	111.326

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: B1B95/6-31+G**

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	-0.473
2	H	0.290
3	Cl	0.061
4	Cl	0.061
5	Cl	0.061

	x	y	z	Total
	0.000	0.000	1.239	1.239
CHELPG
AIM
ESP

<r²>	176.014
(<r²>)^1/2	13.267

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)