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	hartrees
Energy at 0K	-408.926904
Energy at 298.15K	-408.925377
HF Energy	-408.926904
Nuclear repulsion energy	320.304429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2298	2266	0.00
2	A₁	570	563	0.00
3	E	542	535	0.00
3	E	542	535	0.00
4	E	105	104	0.00
4	E	105	104	0.00
5	T₁	332	327	0.00
5	T₁	332	327	0.00
5	T₁	332	327	0.00
6	T₂	2289	2258	9.03
6	T₂	2289	2258	9.03
6	T₂	2289	2258	9.03
7	T₂	1033	1019	29.15
7	T₂	1033	1019	29.15
7	T₂	1033	1019	29.15
8	T₂	531	524	0.07
8	T₂	531	524	0.07
8	T₂	531	524	0.07
9	T₂	139	137	10.44
9	T₂	139	137	10.44
9	T₂	139	137	10.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.861	0.861	0.861
C3	-0.861	-0.861	0.861
C4	-0.861	0.861	-0.861
C5	0.861	-0.861	-0.861
N6	1.537	1.537	1.537
N7	-1.537	-1.537	1.537
N8	-1.537	1.537	-1.537
N9	1.537	-1.537	-1.537

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4904	1.4904	1.4904	1.4904	2.6620	2.6620	2.6620	2.6620
C2	1.4904		2.4339	2.4339	2.4339	1.1716	3.4572	3.4572	3.4572
C3	1.4904	2.4339		2.4339	2.4339	3.4572	1.1716	3.4572	3.4572
C4	1.4904	2.4339	2.4339		2.4339	3.4572	3.4572	1.1716	3.4572
C5	1.4904	2.4339	2.4339	2.4339		3.4572	3.4572	3.4572	1.1716
N6	2.6620	1.1716	3.4572	3.4572	3.4572		4.3470	4.3470	4.3470
N7	2.6620	3.4572	1.1716	3.4572	3.4572	4.3470		4.3470	4.3470
N8	2.6620	3.4572	3.4572	1.1716	3.4572	4.3470	4.3470		4.3470
N9	2.6620	3.4572	3.4572	3.4572	1.1716	4.3470	4.3470	4.3470

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: PBEPBE/6-31G**

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	-0.244
2	C	0.447
3	C	0.447
4	C	0.447
5	C	0.447
6	N	-0.386
7	N	-0.386
8	N	-0.386
9	N	-0.386

<r²>	286.461
(<r²>)^1/2	16.925

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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