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	hartrees
Energy at 0K	-409.330790
Energy at 298.15K	-409.329353
HF Energy	-409.330790
Nuclear repulsion energy	320.613872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2284	2271	0.00
2	A₁	566	563	0.00
3	E	548	545	0.00
3	E	548	545	0.00
4	E	110	110	0.00
4	E	110	110	0.00
5	T₁	338	337	0.00
5	T₁	338	337	0.00
5	T₁	338	337	0.00
6	T₂	2271	2259	9.70
6	T₂	2271	2259	9.70
6	T₂	2271	2259	9.70
7	T₂	1008	1003	30.30
7	T₂	1008	1003	30.30
7	T₂	1008	1003	30.30
8	T₂	535	532	0.03
8	T₂	535	532	0.03
8	T₂	535	532	0.03
9	T₂	146	145	12.07
9	T₂	146	145	12.07
9	T₂	146	145	12.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.862	0.862	0.862
C3	-0.862	-0.862	0.862
C4	-0.862	0.862	-0.862
C5	0.862	-0.862	-0.862
N6	1.535	1.535	1.535
N7	-1.535	-1.535	1.535
N8	-1.535	1.535	-1.535
N9	1.535	-1.535	-1.535

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4928	1.4928	1.4928	1.4928	2.6589	2.6589	2.6589	2.6589
C2	1.4928		2.4378	2.4378	2.4378	1.1660	3.4561	3.4561	3.4561
C3	1.4928	2.4378		2.4378	2.4378	3.4561	1.1660	3.4561	3.4561
C4	1.4928	2.4378	2.4378		2.4378	3.4561	3.4561	1.1660	3.4561
C5	1.4928	2.4378	2.4378	2.4378		3.4561	3.4561	3.4561	1.1660
N6	2.6589	1.1660	3.4561	3.4561	3.4561		4.3419	4.3419	4.3419
N7	2.6589	3.4561	1.1660	3.4561	3.4561	4.3419		4.3419	4.3419
N8	2.6589	3.4561	3.4561	1.1660	3.4561	4.3419	4.3419		4.3419
N9	2.6589	3.4561	3.4561	3.4561	1.1660	4.3419	4.3419	4.3419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	N7	180.000
C1	C4	N8	180.000	C1	C5	N9	180.000
C2	C1	C3	109.471	C2	C1	C4	109.471
C2	C1	C5	109.471	C3	C1	C4	109.471
C3	C1	C5	109.471	C4	C1	C5	109.471

All results from a given calculation for C(CN)₄ (tetracyanomethane)

using model chemistry: BLYP/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	-0.321
2	C	0.376
3	C	0.376
4	C	0.376
5	C	0.376
6	N	-0.296
7	N	-0.296
8	N	-0.296
9	N	-0.296

<r²>	286.344
(<r²>)^1/2	16.922

All results from a given calculation for C(CN)4 (tetracyanomethane)

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

States and conformations

All results from a given calculation for C(CN)₄ (tetracyanomethane)