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	hartrees
Energy at 0K	-408.916201
Energy at 298.15K	-408.914934
HF Energy	-408.916201
Nuclear repulsion energy	323.167445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2422	2308	0.00
2	A₁	593	566	0.00
3	E	574	547	0.00
3	E	574	547	0.00
4	E	111	106	0.00
4	E	111	106	0.00
5	T₁	350	334	0.00
5	T₁	350	334	0.00
5	T₁	350	334	0.00
6	T₂	2416	2302	6.41
6	T₂	2416	2302	6.41
6	T₂	2416	2302	6.41
7	T₂	1099	1048	34.47
7	T₂	1099	1048	34.47
7	T₂	1099	1048	34.47
8	T₂	558	532	0.03
8	T₂	558	532	0.03
8	T₂	558	532	0.03
9	T₂	146	140	12.48
9	T₂	146	140	12.48
9	T₂	146	140	12.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.855	0.855	0.855
C3	-0.855	-0.855	0.855
C4	-0.855	0.855	-0.855
C5	0.855	-0.855	-0.855
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		1.4812	1.4812	1.4812	1.4812	2.6378	2.6378	2.6378	2.6378
C2	1.4812		2.4188	2.4188	2.4188	1.1566	3.4288	3.4288	3.4288
C3	1.4812	2.4188		2.4188	2.4188	3.4288	1.1566	3.4288	3.4288
C4	1.4812	2.4188	2.4188		2.4188	3.4288	3.4288	1.1566	3.4288
C5	1.4812	2.4188	2.4188	2.4188		3.4288	3.4288	3.4288	1.1566
N6	2.6378	1.1566	3.4288	3.4288	3.4288		4.3076	4.3076	4.3076
N7	2.6378	3.4288	1.1566	3.4288	3.4288	4.3076		4.3076	4.3076
N8	2.6378	3.4288	3.4288	1.1566	3.4288	4.3076	4.3076		4.3076
N9	2.6378	3.4288	3.4288	3.4288	1.1566	4.3076	4.3076	4.3076

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: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.232
2	C	0.446
3	C	0.446
4	C	0.446
5	C	0.446
6	N	-0.388
7	N	-0.388
8	N	-0.388
9	N	-0.388

<r²>	282.451
(<r²>)^1/2	16.806

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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