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	hartrees
Energy at 0K	-404.113069
Energy at 298.15K	-404.111259
HF Energy	-404.113069
Nuclear repulsion energy	313.081369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2370	2115	0.00
2	A₁	575	513	0.00
3	E	565	505	0.00
3	E	565	505	0.00
4	E	109	97	0.00
4	E	109	97	0.00
5	T₁	354	316	0.00
5	T₁	354	316	0.00
5	T₁	354	316	0.00
6	T₂	2355	2101	67.71
6	T₂	2355	2101	67.71
6	T₂	2355	2101	67.71
7	T₂	1075	959	28.46
7	T₂	1075	959	28.46
7	T₂	1075	959	28.46
8	T₂	555	496	0.00
8	T₂	555	496	0.00
8	T₂	555	496	0.00
9	T₂	144	128	7.36
9	T₂	144	128	7.36
9	T₂	144	128	7.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.880	0.880	0.880
C3	-0.880	-0.880	0.880
C4	-0.880	0.880	-0.880
C5	0.880	-0.880	-0.880
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		1.5243	1.5243	1.5243	1.5243	2.7235	2.7235	2.7235	2.7235
C2	1.5243		2.4892	2.4892	2.4892	1.1992	3.5367	3.5367	3.5367
C3	1.5243	2.4892		2.4892	2.4892	3.5367	1.1992	3.5367	3.5367
C4	1.5243	2.4892	2.4892		2.4892	3.5367	3.5367	1.1992	3.5367
C5	1.5243	2.4892	2.4892	2.4892		3.5367	3.5367	3.5367	1.1992
N6	2.7235	1.1992	3.5367	3.5367	3.5367		4.4474	4.4474	4.4474
N7	2.7235	3.5367	1.1992	3.5367	3.5367	4.4474		4.4474	4.4474
N8	2.7235	3.5367	3.5367	1.1992	3.5367	4.4474	4.4474		4.4474
N9	2.7235	3.5367	3.5367	3.5367	1.1992	4.4474	4.4474	4.4474

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/STO-3G

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	0.041
2	C	0.100
3	C	0.100
4	C	0.100
5	C	0.100
6	N	-0.111
7	N	-0.111
8	N	-0.111
9	N	-0.111

<r²>	296.117
(<r²>)^1/2	17.208

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

using model chemistry: B3LYP/STO-3G

States and conformations

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