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	hartrees
Energy at 0K	-409.047195
Energy at 298.15K	-409.045861
HF Energy	-408.600651
Nuclear repulsion energy	321.640412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2310	2310	0.00
2	A₁	586	586	0.00
3	E	566	566	0.00
3	E	566	566	0.00
4	E	111	111	0.00
4	E	111	111	0.00
5	T₁	340	340	0.00
5	T₁	340	340	0.00
5	T₁	340	340	0.00
6	T₂	2306	2306	15.19
6	T₂	2306	2306	15.19
6	T₂	2306	2306	15.19
7	T₂	1085	1085	35.13
7	T₂	1085	1085	35.13
7	T₂	1085	1085	35.13
8	T₂	552	552	0.00
8	T₂	552	552	0.00
8	T₂	552	552	0.00
9	T₂	146	146	12.61
9	T₂	146	146	12.61
9	T₂	146	146	12.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.857	0.857	0.857
C3	-0.857	-0.857	0.857
C4	-0.857	0.857	-0.857
C5	0.857	-0.857	-0.857
N6	1.531	1.531	1.531
N7	-1.531	-1.531	1.531
N8	-1.531	1.531	-1.531
N9	1.531	-1.531	-1.531

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4843	1.4843	1.4843	1.4843	2.6509	2.6509	2.6509	2.6509
C2	1.4843		2.4238	2.4238	2.4238	1.1666	3.4429	3.4429	3.4429
C3	1.4843	2.4238		2.4238	2.4238	3.4429	1.1666	3.4429	3.4429
C4	1.4843	2.4238	2.4238		2.4238	3.4429	3.4429	1.1666	3.4429
C5	1.4843	2.4238	2.4238	2.4238		3.4429	3.4429	3.4429	1.1666
N6	2.6509	1.1666	3.4429	3.4429	3.4429		4.3289	4.3289	4.3289
N7	2.6509	3.4429	1.1666	3.4429	3.4429	4.3289		4.3289	4.3289
N8	2.6509	3.4429	3.4429	1.1666	3.4429	4.3289	4.3289		4.3289
N9	2.6509	3.4429	3.4429	3.4429	1.1666	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: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

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