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	hartrees
Energy at 0K	-407.794394
Energy at 298.15K	-407.792988
HF Energy	-406.829917
Nuclear repulsion energy	313.427603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2008	1934	0.00
2	A₁	553	532	0.00
3	E	559	539	0.00
3	E	559	539	0.00
4	E	114	109	0.00
4	E	114	109	0.00
5	T₁	340	328	0.00
5	T₁	340	328	0.00
5	T₁	340	328	0.00
6	T₂	2018	1943	36.73
6	T₂	2018	1943	36.73
6	T₂	2018	1943	36.73
7	T₂	1039	1000	37.52
7	T₂	1039	1000	37.52
7	T₂	1039	1000	37.52
8	T₂	548	528	1.66
8	T₂	548	528	1.66
8	T₂	548	528	1.66
9	T₂	146	140	9.32
9	T₂	146	140	9.32
9	T₂	146	140	9.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.870	0.870	0.870
C3	-0.870	-0.870	0.870
C4	-0.870	0.870	-0.870
C5	0.870	-0.870	-0.870
N6	1.572	1.572	1.572
N7	-1.572	-1.572	1.572
N8	-1.572	1.572	-1.572
N9	1.572	-1.572	-1.572

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.5077	1.5077	1.5077	1.5077	2.7229	2.7229	2.7229	2.7229
C2	1.5077		2.4621	2.4621	2.4621	1.2152	3.5248	3.5248	3.5248
C3	1.5077	2.4621		2.4621	2.4621	3.5248	1.2152	3.5248	3.5248
C4	1.5077	2.4621	2.4621		2.4621	3.5248	3.5248	1.2152	3.5248
C5	1.5077	2.4621	2.4621	2.4621		3.5248	3.5248	3.5248	1.2152
N6	2.7229	1.2152	3.5248	3.5248	3.5248		4.4465	4.4465	4.4465
N7	2.7229	3.5248	1.2152	3.5248	3.5248	4.4465		4.4465	4.4465
N8	2.7229	3.5248	3.5248	1.2152	3.5248	4.4465	4.4465		4.4465
N9	2.7229	3.5248	3.5248	3.5248	1.2152	4.4465	4.4465	4.4465

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: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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