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	hartrees
Energy at 0K	-409.542963
Energy at 298.15K	-409.541636
HF Energy	-409.542963
Nuclear repulsion energy	323.418039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2354	2279	0.00
2	A₁	579	561	0.00
3	E	566	548	0.00
3	E	566	548	0.00
4	E	109	106	0.00
4	E	109	106	0.00
5	T₁	342	331	0.00
5	T₁	342	331	0.00
5	T₁	342	331	0.00
6	T₂	2345	2270	8.17
6	T₂	2345	2270	8.17
6	T₂	2345	2270	8.17
7	T₂	1053	1019	33.45
7	T₂	1053	1019	33.45
7	T₂	1053	1019	33.45
8	T₂	551	533	0.01
8	T₂	551	533	0.01
8	T₂	551	533	0.01
9	T₂	144	139	12.36
9	T₂	144	139	12.36
9	T₂	144	139	12.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.856	0.856	0.856
C3	-0.856	-0.856	0.856
C4	-0.856	0.856	-0.856
C5	0.856	-0.856	-0.856
N6	1.522	1.522	1.522
N7	-1.522	-1.522	1.522
N8	-1.522	1.522	-1.522
N9	1.522	-1.522	-1.522

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4831	1.4831	1.4831	1.4831	2.6354	2.6354	2.6354	2.6354
C2	1.4831		2.4219	2.4219	2.4219	1.1522	3.4279	3.4279	3.4279
C3	1.4831	2.4219		2.4219	2.4219	3.4279	1.1522	3.4279	3.4279
C4	1.4831	2.4219	2.4219		2.4219	3.4279	3.4279	1.1522	3.4279
C5	1.4831	2.4219	2.4219	2.4219		3.4279	3.4279	3.4279	1.1522
N6	2.6354	1.1522	3.4279	3.4279	3.4279		4.3035	4.3035	4.3035
N7	2.6354	3.4279	1.1522	3.4279	3.4279	4.3035		4.3035	4.3035
N8	2.6354	3.4279	3.4279	1.1522	3.4279	4.3035	4.3035		4.3035
N9	2.6354	3.4279	3.4279	3.4279	1.1522	4.3035	4.3035	4.3035

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: TPSSh/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	0.052
2	C	0.008
3	C	0.008
4	C	0.008
5	C	0.008
6	N	-0.021
7	N	-0.021
8	N	-0.021
9	N	-0.021

<r²>	282.595
(<r²>)^1/2	16.811

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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