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	hartrees
Energy at 0K	-409.090847
Energy at 298.15K	-409.089631
HF Energy	-409.090847
Nuclear repulsion energy	324.923255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2407	2315	0.00
2	A₁	593	570	0.00
3	E	578	556	0.00
3	E	578	556	0.00
4	E	112	108	0.00
4	E	112	108	0.00
5	T₁	349	336	0.00
5	T₁	349	336	0.00
5	T₁	349	336	0.00
6	T₂	2400	2308	6.89
6	T₂	2400	2308	6.89
6	T₂	2400	2308	6.89
7	T₂	1089	1047	30.06
7	T₂	1089	1047	30.06
7	T₂	1089	1047	30.06
8	T₂	561	540	0.28
8	T₂	561	540	0.28
8	T₂	561	540	0.28
9	T₂	147	142	13.88
9	T₂	147	142	13.88
9	T₂	147	142	13.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.853	0.853	0.853
C3	-0.853	-0.853	0.853
C4	-0.853	0.853	-0.853
C5	0.853	-0.853	-0.853
N6	1.514	1.514	1.514
N7	-1.514	-1.514	1.514
N8	-1.514	1.514	-1.514
N9	1.514	-1.514	-1.514

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4770	1.4770	1.4770	1.4770	2.6231	2.6231	2.6231	2.6231
C2	1.4770		2.4119	2.4119	2.4119	1.1461	3.4125	3.4125	3.4125
C3	1.4770	2.4119		2.4119	2.4119	3.4125	1.1461	3.4125	3.4125
C4	1.4770	2.4119	2.4119		2.4119	3.4125	3.4125	1.1461	3.4125
C5	1.4770	2.4119	2.4119	2.4119		3.4125	3.4125	3.4125	1.1461
N6	2.6231	1.1461	3.4125	3.4125	3.4125		4.2834	4.2834	4.2834
N7	2.6231	3.4125	1.1461	3.4125	3.4125	4.2834		4.2834	4.2834
N8	2.6231	3.4125	3.4125	1.1461	3.4125	4.2834	4.2834		4.2834
N9	2.6231	3.4125	3.4125	3.4125	1.1461	4.2834	4.2834	4.2834

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: HSEh1PBE/aug-cc-pVTZ

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	0.507
2	C	0.390
3	C	0.390
4	C	0.390
5	C	0.390
6	N	-0.516
7	N	-0.516
8	N	-0.516
9	N	-0.516

<r²>	280.634
(<r²>)^1/2	16.752

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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