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	hartrees
Energy at 0K	-1418.724381
Energy at 298.15K	-1418.725958
HF Energy	-1418.724381
Nuclear repulsion energy	260.191380

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	3106	3078	0.14	68.11	0.27	0.42
2	A₁	650	645	3.80	9.23	0.00	0.00
3	A₁	360	357	0.05	11.31	0.26	0.42
4	E	1200	1189	25.84	6.68	0.75	0.86
4	E	1200	1189	25.84	6.68	0.75	0.86
5	E	702	696	220.47	2.08	0.75	0.86
5	E	702	696	220.50	2.08	0.75	0.86
6	E	257	255	0.12	7.07	0.75	0.86
6	E	257	255	0.12	7.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.451
H2	0.000	0.000	1.543
Cl3	0.000	1.706	-0.083
Cl4	1.478	-0.853	-0.083
Cl5	-1.478	-0.853	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0916	1.7879	1.7879	1.7879
H2	1.0916		2.3569	2.3569	2.3569
Cl3	1.7879	2.3569		2.9550	2.9550
Cl4	1.7879	2.3569	2.9550		2.9550
Cl5	1.7879	2.3569	2.9550	2.9550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.397	H2	C1	Cl4	107.397
H2	C1	Cl5	107.397	Cl3	C1	Cl4	111.463
Cl3	C1	Cl5	111.463	Cl4	C1	Cl5	111.463

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: PBEPBE/6-311G**

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	-0.400
2	H	0.278
3	Cl	0.041
4	Cl	0.041
5	Cl	0.041

	x	y	z	Total
	0.000	0.000	1.197	1.197
CHELPG
AIM
ESP

<r²>	180.106
(<r²>)^1/2	13.420

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)