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	hartrees
Energy at 0K	-409.356190
Energy at 298.15K	-409.355196
HF Energy	-409.356190
Nuclear repulsion energy	324.515931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2460	2460	0.00
2	A₁	596	596	0.00
3	E	600	600	0.00
3	E	600	600	0.00
4	E	123	123	0.00
4	E	123	123	0.00
5	T₁	370	370	0.00
5	T₁	370	370	0.00
5	T₁	370	370	0.00
6	T₂	2454	2454	5.50
6	T₂	2454	2454	5.50
6	T₂	2454	2454	5.50
7	T₂	1109	1109	34.53
7	T₂	1109	1109	34.53
7	T₂	1109	1109	34.53
8	T₂	573	573	0.19
8	T₂	573	573	0.19
8	T₂	573	573	0.19
9	T₂	161	161	12.73
9	T₂	161	161	12.73
9	T₂	161	161	12.73

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	1.516	1.516	1.516
N7	-1.516	-1.516	1.516
N8	-1.516	1.516	-1.516
N9	1.516	-1.516	-1.516

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4808	1.4808	1.4808	1.4808	2.6261	2.6261	2.6261	2.6261
C2	1.4808		2.4182	2.4182	2.4182	1.1453	3.4179	3.4179	3.4179
C3	1.4808	2.4182		2.4182	2.4182	3.4179	1.1453	3.4179	3.4179
C4	1.4808	2.4182	2.4182		2.4182	3.4179	3.4179	1.1453	3.4179
C5	1.4808	2.4182	2.4182	2.4182		3.4179	3.4179	3.4179	1.1453
N6	2.6261	1.1453	3.4179	3.4179	3.4179		4.2884	4.2884	4.2884
N7	2.6261	3.4179	1.1453	3.4179	3.4179	4.2884		4.2884	4.2884
N8	2.6261	3.4179	3.4179	1.1453	3.4179	4.2884	4.2884		4.2884
N9	2.6261	3.4179	3.4179	3.4179	1.1453	4.2884	4.2884	4.2884

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/6-311G**

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	-0.314
2	C	0.266
3	C	0.266
4	C	0.266
5	C	0.266
6	N	-0.187
7	N	-0.187
8	N	-0.187
9	N	-0.187

<r²>	281.228
(<r²>)^1/2	16.770

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

using model chemistry: M06-2X/6-311G**

States and conformations

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