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	hartrees
Energy at 0K	-409.188974
Energy at 298.15K	-409.187486
HF Energy	-409.188974
Nuclear repulsion energy	317.568230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2232	2215	0.00
2	A₁	559	555	0.00
3	E	547	543	0.00
3	E	547	543	0.00
4	E	111	110	0.00
4	E	111	110	0.00
5	T₁	330	328	0.00
5	T₁	330	328	0.00
5	T₁	330	328	0.00
6	T₂	2218	2201	8.80
6	T₂	2218	2201	8.80
6	T₂	2218	2201	8.80
7	T₂	994	986	41.03
7	T₂	994	986	41.03
7	T₂	994	986	41.03
8	T₂	540	535	0.53
8	T₂	540	535	0.53
8	T₂	540	535	0.53
9	T₂	145	143	8.95
9	T₂	145	143	8.95
9	T₂	145	143	8.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.867	0.867	0.867
C3	-0.867	-0.867	0.867
C4	-0.867	0.867	-0.867
C5	0.867	-0.867	-0.867
N6	1.550	1.550	1.550
N7	-1.550	-1.550	1.550
N8	-1.550	1.550	-1.550
N9	1.550	-1.550	-1.550

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.5022	1.5022	1.5022	1.5022	2.6851	2.6851	2.6851	2.6851
C2	1.5022		2.4531	2.4531	2.4531	1.1829	3.4865	3.4865	3.4865
C3	1.5022	2.4531		2.4531	2.4531	3.4865	1.1829	3.4865	3.4865
C4	1.5022	2.4531	2.4531		2.4531	3.4865	3.4865	1.1829	3.4865
C5	1.5022	2.4531	2.4531	2.4531		3.4865	3.4865	3.4865	1.1829
N6	2.6851	1.1829	3.4865	3.4865	3.4865		4.3847	4.3847	4.3847
N7	2.6851	3.4865	1.1829	3.4865	3.4865	4.3847		4.3847	4.3847
N8	2.6851	3.4865	3.4865	1.1829	3.4865	4.3847	4.3847		4.3847
N9	2.6851	3.4865	3.4865	3.4865	1.1829	4.3847	4.3847	4.3847

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: BLYP/6-31G

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	-0.132
2	C	0.196
3	C	0.196
4	C	0.196
5	C	0.196
6	N	-0.163
7	N	-0.163
8	N	-0.163
9	N	-0.163

<r²>	291.596
(<r²>)^1/2	17.076

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

using model chemistry: BLYP/6-31G

States and conformations

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