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	hartrees
Energy at 0K	-407.159928
Energy at 298.15K	-407.158569
HF Energy	-407.159928
Nuclear repulsion energy	325.285732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2342	2304	0.00
2	A₁	593	583	0.00
3	E	562	553	0.00
3	E	562	553	0.00
4	E	108	107	0.00
4	E	108	107	0.00
5	T₁	345	340	0.00
5	T₁	345	340	0.00
5	T₁	345	340	0.00
6	T₂	2337	2299	8.11
6	T₂	2337	2299	8.11
6	T₂	2337	2299	8.11
7	T₂	1074	1057	22.68
7	T₂	1074	1057	22.68
7	T₂	1074	1057	22.68
8	T₂	545	536	0.00
8	T₂	545	536	0.00
8	T₂	545	536	0.00
9	T₂	142	140	11.48
9	T₂	142	140	11.48
9	T₂	142	140	11.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.847	0.847	0.847
C3	-0.847	-0.847	0.847
C4	-0.847	0.847	-0.847
C5	0.847	-0.847	-0.847
N6	1.513	1.513	1.513
N7	-1.513	-1.513	1.513
N8	-1.513	1.513	-1.513
N9	1.513	-1.513	-1.513

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4665	1.4665	1.4665	1.4665	2.6214	2.6214	2.6214	2.6214
C2	1.4665		2.3948	2.3948	2.3948	1.1549	3.4037	3.4037	3.4037
C3	1.4665	2.3948		2.3948	2.3948	3.4037	1.1549	3.4037	3.4037
C4	1.4665	2.3948	2.3948		2.3948	3.4037	3.4037	1.1549	3.4037
C5	1.4665	2.3948	2.3948	2.3948		3.4037	3.4037	3.4037	1.1549
N6	2.6214	1.1549	3.4037	3.4037	3.4037		4.2807	4.2807	4.2807
N7	2.6214	3.4037	1.1549	3.4037	3.4037	4.2807		4.2807	4.2807
N8	2.6214	3.4037	3.4037	1.1549	3.4037	4.2807	4.2807		4.2807
N9	2.6214	3.4037	3.4037	3.4037	1.1549	4.2807	4.2807	4.2807

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: LSDA/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	-0.390
2	C	0.242
3	C	0.242
4	C	0.242
5	C	0.242
6	N	-0.145
7	N	-0.145
8	N	-0.145
9	N	-0.145

<r²>	279.311
(<r²>)^1/2	16.713

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

using model chemistry: LSDA/6-311G*

States and conformations

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