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	hartrees
Energy at 0K	-407.186285
Energy at 298.15K	-407.185591
HF Energy	-407.186285
Nuclear repulsion energy	327.056101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2635	2389	0.00
2	A₁	617	559	0.00
3	E	651	590	0.00
3	E	651	590	0.00
4	E	128	116	0.00
4	E	128	116	0.00
5	T₁	395	358	0.00
5	T₁	395	358	0.00
5	T₁	395	358	0.00
6	T₂	2628	2382	1.11
6	T₂	2628	2382	1.11
6	T₂	2628	2382	1.11
7	T₂	1184	1073	49.29
7	T₂	1184	1073	49.29
7	T₂	1184	1073	49.29
8	T₂	620	562	2.46
8	T₂	620	562	2.46
8	T₂	620	562	2.46
9	T₂	170	154	18.63
9	T₂	170	154	18.63
9	T₂	170	154	18.63

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	1.503	1.503	1.503
N7	-1.503	-1.503	1.503
N8	-1.503	1.503	-1.503
N9	1.503	-1.503	-1.503

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4819	1.4819	1.4819	1.4819	2.6039	2.6039	2.6039	2.6039
C2	1.4819		2.4199	2.4199	2.4199	1.1220	3.3983	3.3983	3.3983
C3	1.4819	2.4199		2.4199	2.4199	3.3983	1.1220	3.3983	3.3983
C4	1.4819	2.4199	2.4199		2.4199	3.3983	3.3983	1.1220	3.3983
C5	1.4819	2.4199	2.4199	2.4199		3.3983	3.3983	3.3983	1.1220
N6	2.6039	1.1220	3.3983	3.3983	3.3983		4.2522	4.2522	4.2522
N7	2.6039	3.3983	1.1220	3.3983	3.3983	4.2522		4.2522	4.2522
N8	2.6039	3.3983	3.3983	1.1220	3.3983	4.2522	4.2522		4.2522
N9	2.6039	3.3983	3.3983	3.3983	1.1220	4.2522	4.2522	4.2522

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/Def2TZVPP

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	0.919
2	C	-0.203
3	C	-0.203
4	C	-0.203
5	C	-0.203
6	N	-0.026
7	N	-0.026
8	N	-0.026
9	N	-0.026

<r²>	278.960
(<r²>)^1/2	16.702

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

using model chemistry: HF/Def2TZVPP

States and conformations

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