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	hartrees
Energy at 0K	-409.387629
Energy at 298.15K	-409.386680
HF Energy	-409.387629
Nuclear repulsion energy	324.750485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2471	2339	0.00
2	A₁	597	565	0.00
3	E	603	571	0.00
3	E	603	571	0.00
4	E	125	119	0.00
4	E	125	119	0.00
5	T₁	372	352	0.00
5	T₁	372	352	0.00
5	T₁	372	352	0.00
6	T₂	2464	2331	4.96
6	T₂	2464	2331	4.96
6	T₂	2464	2331	4.96
7	T₂	1109	1049	35.13
7	T₂	1109	1049	35.13
7	T₂	1109	1049	35.13
8	T₂	578	547	0.39
8	T₂	578	547	0.39
8	T₂	578	547	0.39
9	T₂	165	156	13.50
9	T₂	165	156	13.50
9	T₂	165	156	13.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.855	0.855	0.855
C3	-0.855	-0.855	0.855
C4	-0.855	0.855	-0.855
C5	0.855	-0.855	-0.855
N6	1.515	1.515	1.515
N7	-1.515	-1.515	1.515
N8	-1.515	1.515	-1.515
N9	1.515	-1.515	-1.515

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4805	1.4805	1.4805	1.4805	2.6241	2.6241	2.6241	2.6241
C2	1.4805		2.4177	2.4177	2.4177	1.1436	3.4158	3.4158	3.4158
C3	1.4805	2.4177		2.4177	2.4177	3.4158	1.1436	3.4158	3.4158
C4	1.4805	2.4177	2.4177		2.4177	3.4158	3.4158	1.1436	3.4158
C5	1.4805	2.4177	2.4177	2.4177		3.4158	3.4158	3.4158	1.1436
N6	2.6241	1.1436	3.4158	3.4158	3.4158		4.2852	4.2852	4.2852
N7	2.6241	3.4158	1.1436	3.4158	3.4158	4.2852		4.2852	4.2852
N8	2.6241	3.4158	3.4158	1.1436	3.4158	4.2852	4.2852		4.2852
N9	2.6241	3.4158	3.4158	3.4158	1.1436	4.2852	4.2852	4.2852

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: M06-2X/TZVP

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	0.506
2	C	-0.057
3	C	-0.057
4	C	-0.057
5	C	-0.057
6	N	-0.069
7	N	-0.069
8	N	-0.069
9	N	-0.069

<r²>	281.183
(<r²>)^1/2	16.769

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

using model chemistry: M06-2X/TZVP

States and conformations

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