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	hartrees
Energy at 0K	-407.990855
Energy at 298.15K	-407.989887
HF Energy	-407.036373
Nuclear repulsion energy	324.724434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2553	2363	0.00
2	A₁	615	570	0.00
3	E	617	571	0.00
3	E	617	571	0.00
4	E	121	112	0.00
4	E	121	112	0.00
5	T₁	371	344	0.00
5	T₁	371	344	0.00
5	T₁	371	344	0.00
6	T₂	2544	2356	4.50
6	T₂	2544	2356	4.50
6	T₂	2544	2356	4.50
7	T₂	1175	1088	44.87
7	T₂	1175	1088	44.87
7	T₂	1175	1088	44.87
8	T₂	596	552	0.53
8	T₂	596	552	0.53
8	T₂	596	552	0.53
9	T₂	159	147	15.78
9	T₂	159	147	15.78
9	T₂	159	147	15.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.854	0.854	0.854
C3	-0.854	-0.854	0.854
C4	-0.854	0.854	-0.854
C5	0.854	-0.854	-0.854
N6	1.515	1.515	1.515
N7	-1.515	-1.515	1.515
N8	-1.515	1.515	-1.515
N9	1.515	-1.515	-1.515

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4798	1.4798	1.4798	1.4798	2.6244	2.6244	2.6244	2.6244
C2	1.4798		2.4165	2.4165	2.4165	1.1446	3.4156	3.4156	3.4156
C3	1.4798	2.4165		2.4165	2.4165	3.4156	1.1446	3.4156	3.4156
C4	1.4798	2.4165	2.4165		2.4165	3.4156	3.4156	1.1446	3.4156
C5	1.4798	2.4165	2.4165	2.4165		3.4156	3.4156	3.4156	1.1446
N6	2.6244	1.1446	3.4156	3.4156	3.4156		4.2857	4.2857	4.2857
N7	2.6244	3.4156	1.1446	3.4156	3.4156	4.2857		4.2857	4.2857
N8	2.6244	3.4156	3.4156	1.1446	3.4156	4.2857	4.2857		4.2857
N9	2.6244	3.4156	3.4156	3.4156	1.1446	4.2857	4.2857	4.2857

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: CISD/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: CISD/6-31G*

States and conformations

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