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	hartrees
Energy at 0K	-409.002119
Energy at 298.15K	-409.000825
HF Energy	-409.002119
Nuclear repulsion energy	323.097703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2401	2310	0.00
2	A₁	593	570	0.00
3	E	569	547	0.00
3	E	569	547	0.00
4	E	109	105	0.00
4	E	109	105	0.00
5	T₁	339	327	0.00
5	T₁	339	327	0.00
5	T₁	339	327	0.00
6	T₂	2395	2304	7.27
6	T₂	2395	2304	7.27
6	T₂	2395	2304	7.27
7	T₂	1093	1052	32.24
7	T₂	1093	1052	32.24
7	T₂	1093	1052	32.24
8	T₂	554	533	0.12
8	T₂	554	533	0.12
8	T₂	554	533	0.12
9	T₂	145	139	13.42
9	T₂	145	139	13.42
9	T₂	145	139	13.42

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	1.523	1.523	1.523
N7	-1.523	-1.523	1.523
N8	-1.523	1.523	-1.523
N9	1.523	-1.523	-1.523

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4820	1.4820	1.4820	1.4820	2.6383	2.6383	2.6383	2.6383
C2	1.4820		2.4201	2.4201	2.4201	1.1563	3.4298	3.4298	3.4298
C3	1.4820	2.4201		2.4201	2.4201	3.4298	1.1563	3.4298	3.4298
C4	1.4820	2.4201	2.4201		2.4201	3.4298	3.4298	1.1563	3.4298
C5	1.4820	2.4201	2.4201	2.4201		3.4298	3.4298	3.4298	1.1563
N6	2.6383	1.1563	3.4298	3.4298	3.4298		4.3084	4.3084	4.3084
N7	2.6383	3.4298	1.1563	3.4298	3.4298	4.3084		4.3084	4.3084
N8	2.6383	3.4298	3.4298	1.1563	3.4298	4.3084	4.3084		4.3084
N9	2.6383	3.4298	3.4298	3.4298	1.1563	4.3084	4.3084	4.3084

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: HSEh1PBE/aug-cc-pVDZ

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	1.320
2	C	-0.093
3	C	-0.093
4	C	-0.093
5	C	-0.093
6	N	-0.237
7	N	-0.237
8	N	-0.237
9	N	-0.237

<r²>	283.335
(<r²>)^1/2	16.833

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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