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	hartrees
Energy at 0K	-404.766382
Energy at 298.15K	-404.766245
HF Energy	-404.766382
Nuclear repulsion energy	326.778116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2625	2377	0.00
2	A₁	629	570	0.00
3	E	722	653	0.00
3	E	722	653	0.00
4	E	150	136	0.00
4	E	150	136	0.00
5	T₁	488	442	0.00
5	T₁	488	442	0.00
5	T₁	488	442	0.00
6	T₂	2617	2370	1.91
6	T₂	2617	2370	1.91
6	T₂	2617	2370	1.91
7	T₂	1181	1070	58.54
7	T₂	1181	1070	58.54
7	T₂	1181	1070	58.54
8	T₂	657	595	0.20
8	T₂	657	595	0.20
8	T₂	657	595	0.20
9	T₂	194	176	12.54
9	T₂	194	176	12.54
9	T₂	194	176	12.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.850	0.850	0.850
C3	-0.850	-0.850	0.850
C4	-0.850	0.850	-0.850
C5	0.850	-0.850	-0.850
N6	1.506	1.506	1.506
N7	-1.506	-1.506	1.506
N8	-1.506	1.506	-1.506
N9	1.506	-1.506	-1.506

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4716	1.4716	1.4716	1.4716	2.6078	2.6078	2.6078	2.6078
C2	1.4716		2.4030	2.4030	2.4030	1.1363	3.3948	3.3948	3.3948
C3	1.4716	2.4030		2.4030	2.4030	3.3948	1.1363	3.3948	3.3948
C4	1.4716	2.4030	2.4030		2.4030	3.3948	3.3948	1.1363	3.3948
C5	1.4716	2.4030	2.4030	2.4030		3.3948	3.3948	3.3948	1.1363
N6	2.6078	1.1363	3.3948	3.3948	3.3948		4.2585	4.2585	4.2585
N7	2.6078	3.3948	1.1363	3.3948	3.3948	4.2585		4.2585	4.2585
N8	2.6078	3.3948	3.3948	1.1363	3.3948	4.2585	4.2585		4.2585
N9	2.6078	3.3948	3.3948	3.3948	1.1363	4.2585	4.2585	4.2585

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: HF/3-21G

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	-0.456
2	C	0.516
3	C	0.516
4	C	0.516
5	C	0.516
6	N	-0.401
7	N	-0.401
8	N	-0.401
9	N	-0.401

<r²>	278.897
(<r²>)^1/2	16.700

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

using model chemistry: HF/3-21G

States and conformations

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