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	hartrees
Energy at 0K	-409.225264
Energy at 298.15K	-409.223833
HF Energy	-409.225264
Nuclear repulsion energy	322.077362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2302	2269	0.00
2	A₁	571	563	0.00
3	E	557	549	0.00
3	E	557	549	0.00
4	E	108	106	0.00
4	E	108	106	0.00
5	T₁	334	329	0.00
5	T₁	334	329	0.00
5	T₁	334	329	0.00
6	T₂	2292	2259	9.90
6	T₂	2292	2259	9.90
6	T₂	2292	2259	9.90
7	T₂	1030	1015	32.45
7	T₂	1030	1015	32.45
7	T₂	1030	1015	32.45
8	T₂	540	533	0.02
8	T₂	540	533	0.02
8	T₂	540	533	0.02
9	T₂	141	139	11.10
9	T₂	141	139	11.10
9	T₂	141	139	11.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.858	0.858	0.858
C3	-0.858	-0.858	0.858
C4	-0.858	0.858	-0.858
C5	0.858	-0.858	-0.858
N6	1.528	1.528	1.528
N7	-1.528	-1.528	1.528
N8	-1.528	1.528	-1.528
N9	1.528	-1.528	-1.528

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4866	1.4866	1.4866	1.4866	2.6467	2.6467	2.6467	2.6467
C2	1.4866		2.4276	2.4276	2.4276	1.1601	3.4407	3.4407	3.4407
C3	1.4866	2.4276		2.4276	2.4276	3.4407	1.1601	3.4407	3.4407
C4	1.4866	2.4276	2.4276		2.4276	3.4407	3.4407	1.1601	3.4407
C5	1.4866	2.4276	2.4276	2.4276		3.4407	3.4407	3.4407	1.1601
N6	2.6467	1.1601	3.4407	3.4407	3.4407		4.3221	4.3221	4.3221
N7	2.6467	3.4407	1.1601	3.4407	3.4407	4.3221		4.3221	4.3221
N8	2.6467	3.4407	3.4407	1.1601	3.4407	4.3221	4.3221		4.3221
N9	2.6467	3.4407	3.4407	3.4407	1.1601	4.3221	4.3221	4.3221

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: B97D3/6-311G**

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	-0.236
2	C	0.235
3	C	0.235
4	C	0.235
5	C	0.235
6	N	-0.176
7	N	-0.176
8	N	-0.176
9	N	-0.176

<r²>	284.390
(<r²>)^1/2	16.864

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

using model chemistry: B97D3/6-311G**

States and conformations

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