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	hartrees
Energy at 0K	-407.146003
Energy at 298.15K	-407.145403
HF Energy	-407.146003
Nuclear repulsion energy	322.622203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2375	2292	0.00
2	A₁	593	572	0.00
3	E	652	629	0.00
3	E	652	629	0.00
4	E	136	131	0.00
4	E	136	131	0.00
5	T₁	445	429	0.00
5	T₁	445	429	0.00
5	T₁	445	429	0.00
6	T₂	2364	2281	9.14
6	T₂	2364	2281	9.14
6	T₂	2364	2281	9.14
7	T₂	1067	1030	37.73
7	T₂	1067	1030	37.73
7	T₂	1067	1030	37.73
8	T₂	599	578	0.10
8	T₂	599	578	0.10
8	T₂	599	578	0.10
9	T₂	176	170	8.95
9	T₂	176	170	8.95
9	T₂	176	170	8.95

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	1.526	1.526	1.526
N7	-1.526	-1.526	1.526
N8	-1.526	1.526	-1.526
N9	1.526	-1.526	-1.526

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4806	1.4806	1.4806	1.4806	2.6427	2.6427	2.6427	2.6427
C2	1.4806		2.4178	2.4178	2.4178	1.1621	3.4329	3.4329	3.4329
C3	1.4806	2.4178		2.4178	2.4178	3.4329	1.1621	3.4329	3.4329
C4	1.4806	2.4178	2.4178		2.4178	3.4329	3.4329	1.1621	3.4329
C5	1.4806	2.4178	2.4178	2.4178		3.4329	3.4329	3.4329	1.1621
N6	2.6427	1.1621	3.4329	3.4329	3.4329		4.3156	4.3156	4.3156
N7	2.6427	3.4329	1.1621	3.4329	3.4329	4.3156		4.3156	4.3156
N8	2.6427	3.4329	3.4329	1.1621	3.4329	4.3156	4.3156		4.3156
N9	2.6427	3.4329	3.4329	3.4329	1.1621	4.3156	4.3156	4.3156

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/3-21G

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	-0.521
2	C	0.520
3	C	0.520
4	C	0.520
5	C	0.520
6	N	-0.390
7	N	-0.390
8	N	-0.390
9	N	-0.390

<r²>	283.391
(<r²>)^1/2	16.834

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

using model chemistry: B3LYP/3-21G

States and conformations

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