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	hartrees
Energy at 0K	-408.398418
Energy at 298.15K	-408.396956
HF Energy	-407.021731
Nuclear repulsion energy	320.579622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2312	2244
2	E	107	104
3	E	107	104
3	T₁	323	314
4	T₁	323	313
4	T₁	323	313
5	T₂	2309	2242
5	T₂	2309	2242
5	T₂	2309	2242
6	T₂	1092	1060
6	T₂	1092	1060
6	T₂	1092	1060
7	T₂	585	568
7	T₂	558	541
7	T₂	557	541
8	T₂	546	530
8	T₂	546	530
8	T₂	546	530
9	T₂	144	140
9	T₂	144	140
9	T₂	144	139

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.859	0.859	0.859
C3	-0.859	-0.859	0.859
C4	-0.859	0.859	-0.859
C5	0.859	-0.859	-0.859
N6	1.536	1.536	1.536
N7	-1.536	-1.536	1.536
N8	-1.536	1.536	-1.536
N9	1.536	-1.536	-1.536

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4886	1.4886	1.4886	1.4886	2.6599	2.6599	2.6599	2.6599
C2	1.4886		2.4309	2.4309	2.4309	1.1713	3.4541	3.4541	3.4541
C3	1.4886	2.4309		2.4309	2.4309	3.4541	1.1713	3.4541	3.4541
C4	1.4886	2.4309	2.4309		2.4309	3.4541	3.4541	1.1713	3.4541
C5	1.4886	2.4309	2.4309	2.4309		3.4541	3.4541	3.4541	1.1713
N6	2.6599	1.1713	3.4541	3.4541	3.4541		4.3437	4.3437	4.3437
N7	2.6599	3.4541	1.1713	3.4541	3.4541	4.3437		4.3437	4.3437
N8	2.6599	3.4541	3.4541	1.1713	3.4541	4.3437	4.3437		4.3437
N9	2.6599	3.4541	3.4541	3.4541	1.1713	4.3437	4.3437	4.3437

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: CCSD(T)=FULL/6-31G*

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 C(CN)4 (tetracyanomethane)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

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