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	hartrees
Energy at 0K	-403.618947
Energy at 298.15K	-403.617159
HF Energy	-403.355187
Nuclear repulsion energy	311.988718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2264	2264	0.00
2	A₁	577	577	0.00
3	E	569	569	0.00
3	E	569	569	0.00
4	E	111	111	0.00
4	E	111	111	0.00
5	T₁	352	352	0.00
5	T₁	352	352	0.00
5	T₁	352	352	0.00
6	T₂	2255	2255	75.03
6	T₂	2255	2255	75.03
6	T₂	2255	2255	75.03
7	T₂	1095	1095	22.49
7	T₂	1095	1095	22.49
7	T₂	1095	1095	22.49
8	T₂	558	558	0.02
8	T₂	558	558	0.02
8	T₂	558	558	0.02
9	T₂	144	144	7.67
9	T₂	144	144	7.67
9	T₂	144	144	7.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.880	0.880	0.880
C3	-0.880	-0.880	0.880
C4	-0.880	0.880	-0.880
C5	0.880	-0.880	-0.880
N6	1.578	1.578	1.578
N7	-1.578	-1.578	1.578
N8	-1.578	1.578	-1.578
N9	1.578	-1.578	-1.578

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.5247	1.5247	1.5247	1.5247	2.7338	2.7338	2.7338	2.7338
C2	1.5247		2.4899	2.4899	2.4899	1.2090	3.5464	3.5464	3.5464
C3	1.5247	2.4899		2.4899	2.4899	3.5464	1.2090	3.5464	3.5464
C4	1.5247	2.4899	2.4899		2.4899	3.5464	3.5464	1.2090	3.5464
C5	1.5247	2.4899	2.4899	2.4899		3.5464	3.5464	3.5464	1.2090
N6	2.7338	1.2090	3.5464	3.5464	3.5464		4.4642	4.4642	4.4642
N7	2.7338	3.5464	1.2090	3.5464	3.5464	4.4642		4.4642	4.4642
N8	2.7338	3.5464	3.5464	1.2090	3.5464	4.4642	4.4642		4.4642
N9	2.7338	3.5464	3.5464	3.5464	1.2090	4.4642	4.4642	4.4642

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: B2PLYP/STO-3G

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	0.054
2	C	0.091
3	C	0.091
4	C	0.091
5	C	0.091
6	N	-0.105
7	N	-0.105
8	N	-0.105
9	N	-0.105

<r²>	297.783
(<r²>)^1/2	17.256

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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