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	hartrees
Energy at 0K	-408.620659
Energy at 298.15K	-408.619386
HF Energy	-407.151464
Nuclear repulsion energy	323.357232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2383	2258	0.00
2	A₁	593	562	0.00
3	E	570	540	0.00
3	E	570	540	0.00
4	E	113	107	0.00
4	E	113	107	0.00
5	T₁	333	315	0.00
5	T₁	333	315	0.00
5	T₁	333	315	0.00
6	T₂	2379	2254	13.35
6	T₂	2379	2254	13.35
6	T₂	2379	2254	13.35
7	T₂	1113	1055	35.19
7	T₂	1113	1055	35.19
7	T₂	1113	1055	35.19
8	T₂	564	534	0.02
8	T₂	564	534	0.02
8	T₂	564	534	0.02
9	T₂	147	139	13.25
9	T₂	147	139	13.25
9	T₂	147	139	13.25

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		1.4824	1.4824	1.4824	1.4824	2.6360	2.6360	2.6360	2.6360
C2	1.4824		2.4208	2.4208	2.4208	1.1536	3.4280	3.4280	3.4280
C3	1.4824	2.4208		2.4208	2.4208	3.4280	1.1536	3.4280	3.4280
C4	1.4824	2.4208	2.4208		2.4208	3.4280	3.4280	1.1536	3.4280
C5	1.4824	2.4208	2.4208	2.4208		3.4280	3.4280	3.4280	1.1536
N6	2.6360	1.1536	3.4280	3.4280	3.4280		4.3046	4.3046	4.3046
N7	2.6360	3.4280	1.1536	3.4280	3.4280	4.3046		4.3046	4.3046
N8	2.6360	3.4280	3.4280	1.1536	3.4280	4.3046	4.3046		4.3046
N9	2.6360	3.4280	3.4280	3.4280	1.1536	4.3046	4.3046	4.3046

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/TZVP

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/TZVP

States and conformations

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