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	hartrees
Energy at 0K	-407.065417
Energy at 298.15K	-407.063888
HF Energy	-407.065417
Nuclear repulsion energy	323.428518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2339	2304	0.00
2	A₁	588	580	0.00
3	E	543	534	0.00
3	E	543	534	0.00
4	E	103	102	0.00
4	E	103	102	0.00
5	T₁	326	321	0.00
5	T₁	326	321	0.00
5	T₁	326	321	0.00
6	T₂	2334	2299	7.75
6	T₂	2334	2299	7.75
6	T₂	2334	2299	7.75
7	T₂	1073	1056	25.94
7	T₂	1073	1056	25.94
7	T₂	1073	1056	25.94
8	T₂	532	524	0.08
8	T₂	532	524	0.08
8	T₂	532	524	0.08
9	T₂	136	134	11.73
9	T₂	136	134	11.73
9	T₂	136	134	11.73

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	1.522	1.522	1.522
N7	-1.522	-1.522	1.522
N8	-1.522	1.522	-1.522
N9	1.522	-1.522	-1.522

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4723	1.4723	1.4723	1.4723	2.6368	2.6368	2.6368	2.6368
C2	1.4723		2.4043	2.4043	2.4043	1.1645	3.4218	3.4218	3.4218
C3	1.4723	2.4043		2.4043	2.4043	3.4218	1.1645	3.4218	3.4218
C4	1.4723	2.4043	2.4043		2.4043	3.4218	3.4218	1.1645	3.4218
C5	1.4723	2.4043	2.4043	2.4043		3.4218	3.4218	3.4218	1.1645
N6	2.6368	1.1645	3.4218	3.4218	3.4218		4.3059	4.3059	4.3059
N7	2.6368	3.4218	1.1645	3.4218	3.4218	4.3059		4.3059	4.3059
N8	2.6368	3.4218	3.4218	1.1645	3.4218	4.3059	4.3059		4.3059
N9	2.6368	3.4218	3.4218	3.4218	1.1645	4.3059	4.3059	4.3059

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/6-31+G**

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	0.195
2	C	0.293
3	C	0.293
4	C	0.293
5	C	0.293
6	N	-0.342
7	N	-0.342
8	N	-0.342
9	N	-0.342

<r²>	282.452
(<r²>)^1/2	16.806

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

using model chemistry: LSDA/6-31+G**

States and conformations

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