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	hartrees
Energy at 0K	-403.694641
Energy at 298.15K	-403.692624
HF Energy	-403.694641
Nuclear repulsion energy	311.226812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2274	2078	0.00
2	A₁	563	514	0.00
3	E	543	496	0.00
3	E	543	496	0.00
4	E	103	95	0.00
4	E	103	95	0.00
5	T₁	339	310	0.00
5	T₁	339	310	0.00
5	T₁	339	310	0.00
6	T₂	2256	2061	66.66
6	T₂	2256	2061	66.66
6	T₂	2256	2061	66.66
7	T₂	1031	942	21.32
7	T₂	1031	942	21.32
7	T₂	1031	942	21.32
8	T₂	535	489	0.16
8	T₂	535	489	0.16
8	T₂	535	489	0.16
9	T₂	137	125	5.92
9	T₂	137	125	5.92
9	T₂	137	125	5.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.882	0.882	0.882
C3	-0.882	-0.882	0.882
C4	-0.882	0.882	-0.882
C5	0.882	-0.882	-0.882
N6	1.582	1.582	1.582
N7	-1.582	-1.582	1.582
N8	-1.582	1.582	-1.582
N9	1.582	-1.582	-1.582

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.5271	1.5271	1.5271	1.5271	2.7407	2.7407	2.7407	2.7407
C2	1.5271		2.4938	2.4938	2.4938	1.2136	3.5544	3.5544	3.5544
C3	1.5271	2.4938		2.4938	2.4938	3.5544	1.2136	3.5544	3.5544
C4	1.5271	2.4938	2.4938		2.4938	3.5544	3.5544	1.2136	3.5544
C5	1.5271	2.4938	2.4938	2.4938		3.5544	3.5544	3.5544	1.2136
N6	2.7407	1.2136	3.5544	3.5544	3.5544		4.4755	4.4755	4.4755
N7	2.7407	3.5544	1.2136	3.5544	3.5544	4.4755		4.4755	4.4755
N8	2.7407	3.5544	3.5544	1.2136	3.5544	4.4755	4.4755		4.4755
N9	2.7407	3.5544	3.5544	3.5544	1.2136	4.4755	4.4755	4.4755

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: PBEPBE/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	0.026
2	C	0.096
3	C	0.096
4	C	0.096
5	C	0.096
6	N	-0.103
7	N	-0.103
8	N	-0.103
9	N	-0.103

<r²>	298.623
(<r²>)^1/2	17.281

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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