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	hartrees
Energy at 0K	-408.803933
Energy at 298.15K	-408.802499
HF Energy	-408.803933
Nuclear repulsion energy	318.601817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2250	2219	0.00
2	A₁	570	562	0.00
3	E	552	544	0.00
3	E	552	544	0.00
4	E	110	109	0.00
4	E	110	109	0.00
5	T₁	337	332	0.00
5	T₁	337	332	0.00
5	T₁	337	332	0.00
6	T₂	2240	2209	7.21
6	T₂	2240	2209	7.21
6	T₂	2240	2209	7.21
7	T₂	1018	1004	35.08
7	T₂	1018	1004	35.08
7	T₂	1018	1004	35.08
8	T₂	544	537	0.88
8	T₂	544	537	0.88
8	T₂	544	537	0.88
9	T₂	144	142	8.56
9	T₂	144	142	8.56
9	T₂	144	142	8.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.863	0.863	0.863
C3	-0.863	-0.863	0.863
C4	-0.863	0.863	-0.863
C5	0.863	-0.863	-0.863
N6	1.545	1.545	1.545
N7	-1.545	-1.545	1.545
N8	-1.545	1.545	-1.545
N9	1.545	-1.545	-1.545

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4943	1.4943	1.4943	1.4943	2.6768	2.6768	2.6768	2.6768
C2	1.4943		2.4403	2.4403	2.4403	1.1825	3.4735	3.4735	3.4735
C3	1.4943	2.4403		2.4403	2.4403	3.4735	1.1825	3.4735	3.4735
C4	1.4943	2.4403	2.4403		2.4403	3.4735	3.4735	1.1825	3.4735
C5	1.4943	2.4403	2.4403	2.4403		3.4735	3.4735	3.4735	1.1825
N6	2.6768	1.1825	3.4735	3.4735	3.4735		4.3712	4.3712	4.3712
N7	2.6768	3.4735	1.1825	3.4735	3.4735	4.3712		4.3712	4.3712
N8	2.6768	3.4735	3.4735	1.1825	3.4735	4.3712	4.3712		4.3712
N9	2.6768	3.4735	3.4735	3.4735	1.1825	4.3712	4.3712	4.3712

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/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	-0.250
2	C	0.255
3	C	0.255
4	C	0.255
5	C	0.255
6	N	-0.193
7	N	-0.193
8	N	-0.193
9	N	-0.193

<r²>	289.665
(<r²>)^1/2	17.020

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

using model chemistry: PBEPBE/6-31G

States and conformations

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