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	hartrees
Energy at 0K	-408.336063
Energy at 298.15K	-408.334766
HF Energy	-407.026974
Nuclear repulsion energy	321.602970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2380	2261	0.00
2	A₁	592	562	0.00
3	E	576	547	0.00
3	E	576	547	0.00
4	E	113	108	0.00
4	E	113	108	0.00
5	T₁	339	322	0.00
5	T₁	339	322	0.00
5	T₁	339	322	0.00
6	T₂	2377	2258	13.35
6	T₂	2377	2258	13.35
6	T₂	2377	2258	13.35
7	T₂	1118	1061	35.12
7	T₂	1118	1061	35.12
7	T₂	1118	1061	35.12
8	T₂	560	532	0.01
8	T₂	560	532	0.01
8	T₂	560	532	0.01
9	T₂	149	141	13.23
9	T₂	149	141	13.23
9	T₂	149	141	13.23

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	1.530	1.530	1.530
N7	-1.530	-1.530	1.530
N8	-1.530	1.530	-1.530
N9	1.530	-1.530	-1.530

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4868	1.4868	1.4868	1.4868	2.6509	2.6509	2.6509	2.6509
C2	1.4868		2.4280	2.4280	2.4280	1.1641	3.4446	3.4446	3.4446
C3	1.4868	2.4280		2.4280	2.4280	3.4446	1.1641	3.4446	3.4446
C4	1.4868	2.4280	2.4280		2.4280	3.4446	3.4446	1.1641	3.4446
C5	1.4868	2.4280	2.4280	2.4280		3.4446	3.4446	3.4446	1.1641
N6	2.6509	1.1641	3.4446	3.4446	3.4446		4.3289	4.3289	4.3289
N7	2.6509	3.4446	1.1641	3.4446	3.4446	4.3289		4.3289	4.3289
N8	2.6509	3.4446	3.4446	1.1641	3.4446	4.3289	4.3289		4.3289
N9	2.6509	3.4446	3.4446	3.4446	1.1641	4.3289	4.3289	4.3289

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: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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