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	hartrees
Energy at 0K	-407.073362
Energy at 298.15K	-407.072669
HF Energy	-407.073362
Nuclear repulsion energy	326.560858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2645	2395	0.00
2	A₁	619	561	0.00
3	E	650	589	0.00
3	E	650	589	0.00
4	E	128	116	0.00
4	E	128	116	0.00
5	T₁	397	360	0.00
5	T₁	397	360	0.00
5	T₁	397	360	0.00
6	T₂	2638	2388	1.22
6	T₂	2638	2388	1.22
6	T₂	2638	2388	1.22
7	T₂	1187	1075	48.73
7	T₂	1187	1075	48.73
7	T₂	1187	1075	48.73
8	T₂	620	562	2.71
8	T₂	620	562	2.71
8	T₂	620	562	2.71
9	T₂	169	153	19.19
9	T₂	169	153	19.19
9	T₂	169	153	19.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.856	0.856	0.856
C3	-0.856	-0.856	0.856
C4	-0.856	0.856	-0.856
C5	0.856	-0.856	-0.856
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		1.4825	1.4825	1.4825	1.4825	2.6084	2.6084	2.6084	2.6084
C2	1.4825		2.4209	2.4209	2.4209	1.1259	3.4029	3.4029	3.4029
C3	1.4825	2.4209		2.4209	2.4209	3.4029	1.1259	3.4029	3.4029
C4	1.4825	2.4209	2.4209		2.4209	3.4029	3.4029	1.1259	3.4029
C5	1.4825	2.4209	2.4209	2.4209		3.4029	3.4029	3.4029	1.1259
N6	2.6084	1.1259	3.4029	3.4029	3.4029		4.2595	4.2595	4.2595
N7	2.6084	3.4029	1.1259	3.4029	3.4029	4.2595		4.2595	4.2595
N8	2.6084	3.4029	3.4029	1.1259	3.4029	4.2595	4.2595		4.2595
N9	2.6084	3.4029	3.4029	3.4029	1.1259	4.2595	4.2595	4.2595

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/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	-0.393
2	C	0.259
3	C	0.259
4	C	0.259
5	C	0.259
6	N	-0.160
7	N	-0.160
8	N	-0.160
9	N	-0.160

<r²>	279.069
(<r²>)^1/2	16.705

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

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

States and conformations

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