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	hartrees
Energy at 0K	-409.262321
Energy at 298.15K	-409.260863
HF Energy	-409.262321
Nuclear repulsion energy	322.565821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2302	2270	0.00
2	A₁	570	562	0.00
3	E	554	546	0.00
3	E	554	546	0.00
4	E	106	105	0.00
4	E	106	105	0.00
5	T₁	329	324	0.00
5	T₁	329	324	0.00
5	T₁	329	324	0.00
6	T₂	2291	2259	9.76
6	T₂	2291	2259	9.76
6	T₂	2291	2259	9.76
7	T₂	1027	1012	29.71
7	T₂	1027	1012	29.71
7	T₂	1027	1012	29.71
8	T₂	541	533	0.00
8	T₂	541	533	0.00
8	T₂	541	533	0.00
9	T₂	140	138	11.73
9	T₂	140	138	11.73
9	T₂	140	138	11.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.858	0.858	0.858
C3	-0.858	-0.858	0.858
C4	-0.858	0.858	-0.858
C5	0.858	-0.858	-0.858
N6	1.526	1.526	1.526
N7	-1.526	-1.526	1.526
N8	-1.526	1.526	-1.526
N9	1.526	-1.526	-1.526

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4854	1.4854	1.4854	1.4854	2.6426	2.6426	2.6426	2.6426
C2	1.4854		2.4257	2.4257	2.4257	1.1571	3.4361	3.4361	3.4361
C3	1.4854	2.4257		2.4257	2.4257	3.4361	1.1571	3.4361	3.4361
C4	1.4854	2.4257	2.4257		2.4257	3.4361	3.4361	1.1571	3.4361
C5	1.4854	2.4257	2.4257	2.4257		3.4361	3.4361	3.4361	1.1571
N6	2.6426	1.1571	3.4361	3.4361	3.4361		4.3153	4.3153	4.3153
N7	2.6426	3.4361	1.1571	3.4361	3.4361	4.3153		4.3153	4.3153
N8	2.6426	3.4361	3.4361	1.1571	3.4361	4.3153	4.3153		4.3153
N9	2.6426	3.4361	3.4361	3.4361	1.1571	4.3153	4.3153	4.3153

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: B97D3/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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Number	Element	Mulliken
1	C	0.093
2	C	-0.024
3	C	-0.024
4	C	-0.024
5	C	-0.024
6	N	0.001
7	N	0.001
8	N	0.001
9	N	0.001

<r²>	283.775
(<r²>)^1/2	16.846

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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