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	hartrees
Energy at 0K	-409.432504
Energy at 298.15K	-409.431197
HF Energy	-409.432504
Nuclear repulsion energy	322.652794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2359	2276	0.00
2	A₁	583	563	0.00
3	E	566	547	0.00
3	E	566	547	0.00
4	E	110	107	0.00
4	E	110	107	0.00
5	T₁	349	337	0.00
5	T₁	349	337	0.00
5	T₁	349	337	0.00
6	T₂	2349	2267	7.54
6	T₂	2349	2267	7.54
6	T₂	2349	2267	7.54
7	T₂	1055	1018	32.91
7	T₂	1055	1018	32.91
7	T₂	1055	1018	32.91
8	T₂	551	532	0.04
8	T₂	551	532	0.04
8	T₂	551	532	0.04
9	T₂	146	141	12.67
9	T₂	146	141	12.67
9	T₂	146	141	12.67

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	1.523	1.523	1.523
N7	-1.523	-1.523	1.523
N8	-1.523	1.523	-1.523
N9	1.523	-1.523	-1.523

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4838	1.4838	1.4838	1.4838	2.6384	2.6384	2.6384	2.6384
C2	1.4838		2.4231	2.4231	2.4231	1.1546	3.4312	3.4312	3.4312
C3	1.4838	2.4231		2.4231	2.4231	3.4312	1.1546	3.4312	3.4312
C4	1.4838	2.4231	2.4231		2.4231	3.4312	3.4312	1.1546	3.4312
C5	1.4838	2.4231	2.4231	2.4231		3.4312	3.4312	3.4312	1.1546
N6	2.6384	1.1546	3.4312	3.4312	3.4312		4.3085	4.3085	4.3085
N7	2.6384	3.4312	1.1546	3.4312	3.4312	4.3085		4.3085	4.3085
N8	2.6384	3.4312	3.4312	1.1546	3.4312	4.3085	4.3085		4.3085
N9	2.6384	3.4312	3.4312	3.4312	1.1546	4.3085	4.3085	4.3085

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: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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