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	hartrees
Energy at 0K	-407.528091
Energy at 298.15K	-407.527047
HF Energy	-406.830109
Nuclear repulsion energy	321.897801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2462	2302	0.00
2	A₁	604	565	0.00
3	E	595	556	0.00
3	E	595	556	0.00
4	E	121	113	0.00
4	E	121	113	0.00
5	T₁	359	335	0.00
5	T₁	359	335	0.00
5	T₁	359	335	0.00
6	T₂	2450	2291	3.16
6	T₂	2450	2291	3.16
6	T₂	2450	2291	3.16
7	T₂	1131	1058	53.59
7	T₂	1131	1058	53.59
7	T₂	1131	1058	53.59
8	T₂	593	555	0.00
8	T₂	593	555	0.00
8	T₂	593	555	0.00
9	T₂	157	147	12.99
9	T₂	157	147	12.99
9	T₂	157	147	12.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.859	0.859	0.859
C3	-0.859	-0.859	0.859
C4	-0.859	0.859	-0.859
C5	0.859	-0.859	-0.859
N6	1.529	1.529	1.529
N7	-1.529	-1.529	1.529
N8	-1.529	1.529	-1.529
N9	1.529	-1.529	-1.529

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4883	1.4883	1.4883	1.4883	2.6481	2.6481	2.6481	2.6481
C2	1.4883		2.4303	2.4303	2.4303	1.1598	3.4430	3.4430	3.4430
C3	1.4883	2.4303		2.4303	2.4303	3.4430	1.1598	3.4430	3.4430
C4	1.4883	2.4303	2.4303		2.4303	3.4430	3.4430	1.1598	3.4430
C5	1.4883	2.4303	2.4303	2.4303		3.4430	3.4430	3.4430	1.1598
N6	2.6481	1.1598	3.4430	3.4430	3.4430		4.3243	4.3243	4.3243
N7	2.6481	3.4430	1.1598	3.4430	3.4430	4.3243		4.3243	4.3243
N8	2.6481	3.4430	3.4430	1.1598	3.4430	4.3243	4.3243		4.3243
N9	2.6481	3.4430	3.4430	3.4430	1.1598	4.3243	4.3243	4.3243

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

using model chemistry: CID/6-31G

States and conformations

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