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	hartrees
Energy at 0K	-834.406467
Energy at 298.15K
HF Energy	-833.474884
Nuclear repulsion energy	292.461477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1890	1765	48.53
2	A'	1365	1275	172.27
3	A'	1243	1160	203.60
4	A'	1084	1013	236.94
5	A'	700	654	2.64
6	A'	516	481	1.68
7	A'	465	434	1.76
8	A'	342	320	1.62
9	A'	190	178	3.21
10	A"	533	498	3.33
11	A"	373	348	2.74
12	A"	171	160	0.08

Atom	x (Å)	y (Å)
C1	-0.670	-0.682
C2	0.000	0.467
F3	-1.996	-0.761
F4	-0.089	-1.876
F5	-0.678	1.629
Cl6	1.699	0.609

	C1	C2	F3	F4	F5	Cl6
C1		1.3298	1.3278	1.3280	2.3113	2.6984
C2	1.3298		2.3432	2.3444	1.3458	1.7052
F3	1.3278	2.3432		2.2084	2.7299	3.9409
F4	1.3280	2.3444	2.2084		3.5544	3.0619
F5	2.3113	1.3458	2.7299	3.5544		2.5866
Cl6	2.6984	1.7052	3.9409	3.0619	2.5866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.496	C1	C2	Cl6	125.064
C2	C1	F3	123.694	C2	C1	F4	123.789
F3	C1	F4	112.517	F5	C2	Cl6	115.441

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: CCSD/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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

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

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)