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	hartrees
Energy at 0K	-408.508396
Energy at 298.15K	-408.507148
HF Energy	-407.062673
Nuclear repulsion energy	322.666455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2374	2249	0.00
2	A₁	590	559	0.00
3	E	577	547	0.00
3	E	577	547	0.00
4	E	114	108	0.00
4	E	114	108	0.00
5	T₁	342	324	0.00
5	T₁	342	324	0.00
5	T₁	342	324	0.00
6	T₂	2369	2244	10.97
6	T₂	2369	2244	10.97
6	T₂	2369	2244	10.97
7	T₂	1105	1047	30.12
7	T₂	1105	1047	30.12
7	T₂	1105	1047	30.12
8	T₂	560	531	0.23
8	T₂	560	531	0.23
8	T₂	560	531	0.23
9	T₂	149	141	14.81
9	T₂	149	141	14.81
9	T₂	149	141	14.81

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	1.525	1.525	1.525
N7	-1.525	-1.525	1.525
N8	-1.525	1.525	-1.525
N9	1.525	-1.525	-1.525

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4841	1.4841	1.4841	1.4841	2.6418	2.6418	2.6418	2.6418
C2	1.4841		2.4235	2.4235	2.4235	1.1578	3.4345	3.4345	3.4345
C3	1.4841	2.4235		2.4235	2.4235	3.4345	1.1578	3.4345	3.4345
C4	1.4841	2.4235	2.4235		2.4235	3.4345	3.4345	1.1578	3.4345
C5	1.4841	2.4235	2.4235	2.4235		3.4345	3.4345	3.4345	1.1578
N6	2.6418	1.1578	3.4345	3.4345	3.4345		4.3141	4.3141	4.3141
N7	2.6418	3.4345	1.1578	3.4345	3.4345	4.3141		4.3141	4.3141
N8	2.6418	3.4345	3.4345	1.1578	3.4345	4.3141	4.3141		4.3141
N9	2.6418	3.4345	3.4345	3.4345	1.1578	4.3141	4.3141	4.3141

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: QCISD/6-31G(2df,p)

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

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

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