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	hartrees
Energy at 0K	-409.391293
Energy at 298.15K	-409.389973
HF Energy	-409.391293
Nuclear repulsion energy	322.148308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2391	2298	0.00
2	A₁	583	560	0.00
3	E	567	545	0.00
3	E	567	545	0.00
4	E	112	107	0.00
4	E	112	107	0.00
5	T₁	344	331	0.00
5	T₁	344	331	0.00
5	T₁	344	331	0.00
6	T₂	2382	2289	7.55
6	T₂	2382	2289	7.55
6	T₂	2382	2289	7.55
7	T₂	1072	1030	38.09
7	T₂	1072	1030	38.09
7	T₂	1072	1030	38.09
8	T₂	552	531	0.07
8	T₂	552	531	0.07
8	T₂	552	531	0.07
9	T₂	147	141	12.63
9	T₂	147	141	12.63
9	T₂	147	141	12.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.859	0.859	0.859
C3	-0.859	-0.859	0.859
C4	-0.859	0.859	-0.859
C5	0.859	-0.859	-0.859
N6	1.528	1.528	1.528
N7	-1.528	-1.528	1.528
N8	-1.528	1.528	-1.528
N9	1.528	-1.528	-1.528

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4876	1.4876	1.4876	1.4876	2.6459	2.6459	2.6459	2.6459
C2	1.4876		2.4292	2.4292	2.4292	1.1584	3.4406	3.4406	3.4406
C3	1.4876	2.4292		2.4292	2.4292	3.4406	1.1584	3.4406	3.4406
C4	1.4876	2.4292	2.4292		2.4292	3.4406	3.4406	1.1584	3.4406
C5	1.4876	2.4292	2.4292	2.4292		3.4406	3.4406	3.4406	1.1584
N6	2.6459	1.1584	3.4406	3.4406	3.4406		4.3208	4.3208	4.3208
N7	2.6459	3.4406	1.1584	3.4406	3.4406	4.3208		4.3208	4.3208
N8	2.6459	3.4406	3.4406	1.1584	3.4406	4.3208	4.3208		4.3208
N9	2.6459	3.4406	3.4406	3.4406	1.1584	4.3208	4.3208	4.3208

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: B3LYP/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	-0.144
2	C	0.426
3	C	0.426
4	C	0.426
5	C	0.426
6	N	-0.390
7	N	-0.390
8	N	-0.390
9	N	-0.390

<r²>	284.185
(<r²>)^1/2	16.858

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

using model chemistry: B3LYP/6-31G**

States and conformations

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