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	hartrees
Energy at 0K	-277.707794
Energy at 298.15K
HF Energy	-276.940535
Nuclear repulsion energy	126.292517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3117	3117
2	A_g	1552	1552
3	A_g	1487	1487
4	A_g	1130	1130
5	A_g	1110	1110
6	A_g	468	468
7	A_u	3198	3198
8	A_u	1264	1264
9	A_u	819	819
10	A_u	131	131
11	B_g	3174	3174
12	B_g	1322	1322
13	B_g	1209	1209
14	B_u	3123	3123
15	B_u	1562	1562
16	B_u	1390	1390
17	B_u	1137	1137
18	B_u	269	269

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.629	0.000
C2	-0.423	-0.629	0.000
F3	-0.423	1.713	0.000
F4	0.423	-1.713	0.000
H5	1.056	0.661	0.889
H6	1.056	0.661	-0.889
H7	-1.056	-0.661	0.889
H8	-1.056	-0.661	-0.889

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5153	1.3750	2.3421	1.0921	1.0921	2.1541	2.1541
C2	1.5153		2.3421	1.3750	2.1541	2.1541	1.0921	1.0921
F3	1.3750	2.3421		3.5292	2.0208	2.0208	2.6132	2.6132
F4	2.3421	1.3750	3.5292		2.6132	2.6132	2.0208	2.0208
H5	1.0921	2.1541	2.0208	2.6132		1.7786	2.4911	3.0609
H6	1.0921	2.1541	2.0208	2.6132	1.7786		3.0609	2.4911
H7	2.1541	1.0921	2.6132	2.0208	2.4911	3.0609		1.7786
H8	2.1541	1.0921	2.6132	2.0208	3.0609	2.4911	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.159	C1	C2	H7	110.354
C1	C2	H8	110.354	C2	C1	F3	108.159
C2	C1	H5	110.354	C2	C1	H6	110.354
F3	C1	H5	109.461	F3	C1	H6	109.461
F4	C2	H7	109.461	F4	C2	H8	109.461
H5	C1	H6	109.036	H7	C2	H8	109.036

All results from a given calculation for C₂H₄F₂ (1,2-difluoroethane)

using model chemistry: ROMP2/6-31G(2df,p)

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	0.012
2	C	0.012
3	F	-0.292
4	F	-0.292
5	H	0.140
6	H	0.140
7	H	0.140
8	H	0.140

<r²>	87.235
(<r²>)^1/2	9.340

All results from a given calculation for C2H4F2 (1,2-difluoroethane)

using model chemistry: ROMP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄F₂ (1,2-difluoroethane)