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	hartrees
Energy at 0K	-407.038415
Energy at 298.15K	-407.037674
HF Energy	-407.038415
Nuclear repulsion energy	325.701709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2654	2396	0.00
2	A₁	620	560	0.00
3	E	645	583	0.00
3	E	645	583	0.00
4	E	127	115	0.00
4	E	127	115	0.00
5	T₁	394	355	0.00
5	T₁	394	355	0.00
5	T₁	394	355	0.00
6	T₂	2648	2391	1.14
6	T₂	2648	2391	1.14
6	T₂	2648	2391	1.14
7	T₂	1195	1078	56.22
7	T₂	1195	1078	56.22
7	T₂	1195	1078	56.22
8	T₂	616	556	1.43
8	T₂	616	556	1.43
8	T₂	616	556	1.43
9	T₂	167	151	17.53
9	T₂	167	151	17.53
9	T₂	167	151	17.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.857	0.857	0.857
C3	-0.857	-0.857	0.857
C4	-0.857	0.857	-0.857
C5	0.857	-0.857	-0.857
N6	1.510	1.510	1.510
N7	-1.510	-1.510	1.510
N8	-1.510	1.510	-1.510
N9	1.510	-1.510	-1.510

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4843	1.4843	1.4843	1.4843	2.6155	2.6155	2.6155	2.6155
C2	1.4843		2.4239	2.4239	2.4239	1.1312	3.4106	3.4106	3.4106
C3	1.4843	2.4239		2.4239	2.4239	3.4106	1.1312	3.4106	3.4106
C4	1.4843	2.4239	2.4239		2.4239	3.4106	3.4106	1.1312	3.4106
C5	1.4843	2.4239	2.4239	2.4239		3.4106	3.4106	3.4106	1.1312
N6	2.6155	1.1312	3.4106	3.4106	3.4106		4.2711	4.2711	4.2711
N7	2.6155	3.4106	1.1312	3.4106	3.4106	4.2711		4.2711	4.2711
N8	2.6155	3.4106	3.4106	1.1312	3.4106	4.2711	4.2711		4.2711
N9	2.6155	3.4106	3.4106	3.4106	1.1312	4.2711	4.2711	4.2711

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: HF/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	-0.100
2	C	0.383
3	C	0.383
4	C	0.383
5	C	0.383
6	N	-0.358
7	N	-0.358
8	N	-0.358
9	N	-0.358

<r²>	280.489
(<r²>)^1/2	16.748

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

using model chemistry: HF/6-31G**

States and conformations

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