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	hartrees
Energy at 0K	-409.261614
Energy at 298.15K	-409.260544
HF Energy	-409.261614
Nuclear repulsion energy	323.121983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2467	2349	0.00
2	A₁	593	565	0.00
3	E	590	562	0.00
3	E	590	562	0.00
4	E	122	116	0.00
4	E	122	116	0.00
5	T₁	363	346	0.00
5	T₁	363	346	0.00
5	T₁	363	346	0.00
6	T₂	2461	2343	5.24
6	T₂	2461	2343	5.24
6	T₂	2461	2343	5.24
7	T₂	1110	1057	37.92
7	T₂	1110	1057	37.92
7	T₂	1110	1057	37.92
8	T₂	567	540	0.09
8	T₂	567	540	0.09
8	T₂	567	540	0.09
9	T₂	161	153	12.87
9	T₂	161	153	12.87
9	T₂	161	153	12.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.857	0.857	0.857
C3	-0.857	-0.857	0.857
C4	-0.857	0.857	-0.857
C5	0.857	-0.857	-0.857
N6	1.523	1.523	1.523
N7	-1.523	-1.523	1.523
N8	-1.523	1.523	-1.523
N9	1.523	-1.523	-1.523

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4850	1.4850	1.4850	1.4850	2.6377	2.6377	2.6377	2.6377
C2	1.4850		2.4251	2.4251	2.4251	1.1527	3.4314	3.4314	3.4314
C3	1.4850	2.4251		2.4251	2.4251	3.4314	1.1527	3.4314	3.4314
C4	1.4850	2.4251	2.4251		2.4251	3.4314	3.4314	1.1527	3.4314
C5	1.4850	2.4251	2.4251	2.4251		3.4314	3.4314	3.4314	1.1527
N6	2.6377	1.1527	3.4314	3.4314	3.4314		4.3074	4.3074	4.3074
N7	2.6377	3.4314	1.1527	3.4314	3.4314	4.3074		4.3074	4.3074
N8	2.6377	3.4314	3.4314	1.1527	3.4314	4.3074	4.3074		4.3074
N9	2.6377	3.4314	3.4314	3.4314	1.1527	4.3074	4.3074	4.3074

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/6-31+G**

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	0.498
2	C	0.179
3	C	0.179
4	C	0.179
5	C	0.179
6	N	-0.304
7	N	-0.304
8	N	-0.304
9	N	-0.304

<r²>	283.551
(<r²>)^1/2	16.839

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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