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	hartrees
Energy at 0K	-409.406574
Energy at 298.15K	-409.405162
HF Energy	-409.406574
Nuclear repulsion energy	321.645659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2362	2266	0.00
2	A₁	580	556	0.00
3	E	560	537	0.00
3	E	560	537	0.00
4	E	108	104	0.00
4	E	108	104	0.00
5	T₁	342	328	0.00
5	T₁	342	328	0.00
5	T₁	342	328	0.00
6	T₂	2354	2259	7.53
6	T₂	2354	2259	7.53
6	T₂	2354	2259	7.53
7	T₂	1059	1016	37.46
7	T₂	1059	1016	37.46
7	T₂	1059	1016	37.46
8	T₂	546	524	0.01
8	T₂	546	524	0.01
8	T₂	546	524	0.01
9	T₂	143	137	11.67
9	T₂	143	137	11.67
9	T₂	143	137	11.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.859	0.859	0.859
C3	-0.859	-0.859	0.859
C4	-0.859	0.859	-0.859
C5	0.859	-0.859	-0.859
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		1.4878	1.4878	1.4878	1.4878	2.6504	2.6504	2.6504	2.6504
C2	1.4878		2.4296	2.4296	2.4296	1.1626	3.4448	3.4448	3.4448
C3	1.4878	2.4296		2.4296	2.4296	3.4448	1.1626	3.4448	3.4448
C4	1.4878	2.4296	2.4296		2.4296	3.4448	3.4448	1.1626	3.4448
C5	1.4878	2.4296	2.4296	2.4296		3.4448	3.4448	3.4448	1.1626
N6	2.6504	1.1626	3.4448	3.4448	3.4448		4.3280	4.3280	4.3280
N7	2.6504	3.4448	1.1626	3.4448	3.4448	4.3280		4.3280	4.3280
N8	2.6504	3.4448	3.4448	1.1626	3.4448	4.3280	4.3280		4.3280
N9	2.6504	3.4448	3.4448	3.4448	1.1626	4.3280	4.3280	4.3280

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: TPSSh/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	-0.189
2	C	0.455
3	C	0.455
4	C	0.455
5	C	0.455
6	N	-0.407
7	N	-0.407
8	N	-0.407
9	N	-0.407

<r²>	284.721
(<r²>)^1/2	16.874

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

using model chemistry: TPSSh/6-31G*

States and conformations

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