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	hartrees
Energy at 0K	-407.085915
Energy at 298.15K	-407.085165
HF Energy	-407.085915
Nuclear repulsion energy	325.316403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2630	2394	0.00
2	A₁	618	563	0.00
3	E	642	584	0.00
3	E	642	584	0.00
4	E	126	115	0.00
4	E	126	115	0.00
5	T₁	383	349	0.00
5	T₁	383	349	0.00
5	T₁	383	349	0.00
6	T₂	2624	2389	1.19
6	T₂	2624	2389	1.19
6	T₂	2624	2389	1.19
7	T₂	1187	1081	51.33
7	T₂	1187	1081	51.33
7	T₂	1187	1081	51.33
8	T₂	613	558	2.11
8	T₂	613	558	2.11
8	T₂	613	558	2.11
9	T₂	166	152	18.51
9	T₂	166	152	18.51
9	T₂	166	152	18.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.858	0.858	0.858
C3	-0.858	-0.858	0.858
C4	-0.858	0.858	-0.858
C5	0.858	-0.858	-0.858
N6	1.512	1.512	1.512
N7	-1.512	-1.512	1.512
N8	-1.512	1.512	-1.512
N9	1.512	-1.512	-1.512

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4865	1.4865	1.4865	1.4865	2.6186	2.6186	2.6186	2.6186
C2	1.4865		2.4274	2.4274	2.4274	1.1321	3.4149	3.4149	3.4149
C3	1.4865	2.4274		2.4274	2.4274	3.4149	1.1321	3.4149	3.4149
C4	1.4865	2.4274	2.4274		2.4274	3.4149	3.4149	1.1321	3.4149
C5	1.4865	2.4274	2.4274	2.4274		3.4149	3.4149	3.4149	1.1321
N6	2.6186	1.1321	3.4149	3.4149	3.4149		4.2761	4.2761	4.2761
N7	2.6186	3.4149	1.1321	3.4149	3.4149	4.2761		4.2761	4.2761
N8	2.6186	3.4149	3.4149	1.1321	3.4149	4.2761	4.2761		4.2761
N9	2.6186	3.4149	3.4149	3.4149	1.1321	4.2761	4.2761	4.2761

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/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	1.003
2	C	0.009
3	C	0.009
4	C	0.009
5	C	0.009
6	N	-0.260
7	N	-0.260
8	N	-0.260
9	N	-0.260

<r²>	281.551
(<r²>)^1/2	16.779

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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