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	hartrees
Energy at 0K	-407.128357
Energy at 298.15K	-407.127685
HF Energy	-407.128357
Nuclear repulsion energy	326.740092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2639	2387	0.00
2	A₁	620	560	0.00
3	E	655	593	0.00
3	E	655	593	0.00
4	E	130	117	0.00
4	E	130	117	0.00
5	T₁	401	362	0.00
5	T₁	401	362	0.00
5	T₁	401	362	0.00
6	T₂	2633	2381	1.20
6	T₂	2633	2381	1.20
6	T₂	2633	2381	1.20
7	T₂	1191	1077	54.37
7	T₂	1191	1077	54.37
7	T₂	1191	1077	54.37
8	T₂	621	561	1.50
8	T₂	621	561	1.50
8	T₂	621	561	1.50
9	T₂	170	154	17.18
9	T₂	170	154	17.18
9	T₂	170	154	17.18

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	1.505	1.505	1.505
N7	-1.505	-1.505	1.505
N8	-1.505	1.505	-1.505
N9	1.505	-1.505	-1.505

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4818	1.4818	1.4818	1.4818	2.6070	2.6070	2.6070	2.6070
C2	1.4818		2.4198	2.4198	2.4198	1.1251	3.4011	3.4011	3.4011
C3	1.4818	2.4198		2.4198	2.4198	3.4011	1.1251	3.4011	3.4011
C4	1.4818	2.4198	2.4198		2.4198	3.4011	3.4011	1.1251	3.4011
C5	1.4818	2.4198	2.4198	2.4198		3.4011	3.4011	3.4011	1.1251
N6	2.6070	1.1251	3.4011	3.4011	3.4011		4.2571	4.2571	4.2571
N7	2.6070	3.4011	1.1251	3.4011	3.4011	4.2571		4.2571	4.2571
N8	2.6070	3.4011	3.4011	1.1251	3.4011	4.2571	4.2571		4.2571
N9	2.6070	3.4011	3.4011	3.4011	1.1251	4.2571	4.2571	4.2571

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/6-311G*

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	-0.169
2	C	0.282
3	C	0.282
4	C	0.282
5	C	0.282
6	N	-0.240
7	N	-0.240
8	N	-0.240
9	N	-0.240

<r²>	279.278
(<r²>)^1/2	16.712

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

using model chemistry: HF/6-311G*

States and conformations

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