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	hartrees
Energy at 0K	-409.330291
Energy at 298.15K	-409.328701
HF Energy	-409.330291
Nuclear repulsion energy	319.196569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2273	2261	0.00
2	A₁	558	555	0.00
3	E	537	534	0.00
3	E	537	534	0.00
4	E	106	106	0.00
4	E	106	106	0.00
5	T₁	320	319	0.00
5	T₁	320	319	0.00
5	T₁	320	319	0.00
6	T₂	2262	2250	9.96
6	T₂	2262	2250	9.96
6	T₂	2262	2250	9.96
7	T₂	1005	1000	39.17
7	T₂	1005	1000	39.17
7	T₂	1005	1000	39.17
8	T₂	525	522	0.07
8	T₂	525	522	0.07
8	T₂	525	522	0.07
9	T₂	140	140	11.27
9	T₂	140	140	11.27
9	T₂	140	140	11.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.865	0.865	0.865
C3	-0.865	-0.865	0.865
C4	-0.865	0.865	-0.865
C5	0.865	-0.865	-0.865
N6	1.542	1.542	1.542
N7	-1.542	-1.542	1.542
N8	-1.542	1.542	-1.542
N9	1.542	-1.542	-1.542

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4991	1.4991	1.4991	1.4991	2.6707	2.6707	2.6707	2.6707
C2	1.4991		2.4480	2.4480	2.4480	1.1717	3.4712	3.4712	3.4712
C3	1.4991	2.4480		2.4480	2.4480	3.4712	1.1717	3.4712	3.4712
C4	1.4991	2.4480	2.4480		2.4480	3.4712	3.4712	1.1717	3.4712
C5	1.4991	2.4480	2.4480	2.4480		3.4712	3.4712	3.4712	1.1717
N6	2.6707	1.1717	3.4712	3.4712	3.4712		4.3613	4.3613	4.3613
N7	2.6707	3.4712	1.1717	3.4712	3.4712	4.3613		4.3613	4.3613
N8	2.6707	3.4712	3.4712	1.1717	3.4712	4.3613	4.3613		4.3613
N9	2.6707	3.4712	3.4712	3.4712	1.1717	4.3613	4.3613	4.3613

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: BLYP/6-31+G**

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	0.176
2	C	0.325
3	C	0.325
4	C	0.325
5	C	0.325
6	N	-0.369
7	N	-0.369
8	N	-0.369
9	N	-0.369

<r²>	289.828
(<r²>)^1/2	17.024

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

using model chemistry: BLYP/6-31+G**

States and conformations

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