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	hartrees
Energy at 0K	-65.824015
Energy at 298.15K	-65.823377
HF Energy	-65.824015
Nuclear repulsion energy	151.279115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2554	2302	0.00
2	A₁	613	552	0.00
3	E	642	578	0.00
3	E	642	578	0.00
4	E	132	119	0.00
4	E	132	119	0.00
5	T₁	415	374	0.00
5	T₁	415	374	0.00
5	T₁	415	374	0.00
6	T₂	2552	2300	0.27
6	T₂	2552	2300	0.27
6	T₂	2552	2300	0.27
7	T₂	1203	1085	82.92
7	T₂	1203	1085	82.92
7	T₂	1203	1085	82.92
8	T₂	620	558	0.08
8	T₂	620	558	0.08
8	T₂	620	558	0.08
9	T₂	174	157	14.19
9	T₂	174	157	14.19
9	T₂	174	157	14.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.862	0.862	0.862
C3	-0.862	-0.862	0.862
C4	-0.862	0.862	-0.862
C5	0.862	-0.862	-0.862
N6	1.530	1.530	1.530
N7	-1.530	-1.530	1.530
N8	-1.530	1.530	-1.530
N9	1.530	-1.530	-1.530

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4937	1.4937	1.4937	1.4937	2.6496	2.6496	2.6496	2.6496
C2	1.4937		2.4392	2.4392	2.4392	1.1559	3.4482	3.4482	3.4482
C3	1.4937	2.4392		2.4392	2.4392	3.4482	1.1559	3.4482	3.4482
C4	1.4937	2.4392	2.4392		2.4392	3.4482	3.4482	1.1559	3.4482
C5	1.4937	2.4392	2.4392	2.4392		3.4482	3.4482	3.4482	1.1559
N6	2.6496	1.1559	3.4482	3.4482	3.4482		4.3268	4.3268	4.3268
N7	2.6496	3.4482	1.1559	3.4482	3.4482	4.3268		4.3268	4.3268
N8	2.6496	3.4482	3.4482	1.1559	3.4482	4.3268	4.3268		4.3268
N9	2.6496	3.4482	3.4482	3.4482	1.1559	4.3268	4.3268	4.3268

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/CEP-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	0.672
2	C	-0.635
3	C	-0.635
4	C	-0.635
5	C	-0.635
6	N	0.467
7	N	0.467
8	N	0.467
9	N	0.467

<r²>	213.678
(<r²>)^1/2	14.618

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

using model chemistry: HF/CEP-31G

States and conformations

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