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	hartrees
Energy at 0K	-406.677078
Energy at 298.15K	-406.676437
HF Energy	-406.344914
Nuclear repulsion energy	321.407186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2279	2169	0.00
2	A₁	588	560	0.00
3	E	646	615	0.00
3	E	646	615	0.00
4	E	135	129	0.00
4	E	135	129	0.00
5	T₁	438	417	0.00
5	T₁	438	417	0.00
5	T₁	438	417	0.00
6	T₂	2273	2163	16.41
6	T₂	2273	2163	16.41
6	T₂	2273	2163	16.41
7	T₂	1065	1014	34.22
7	T₂	1065	1014	34.22
7	T₂	1065	1014	34.22
8	T₂	594	566	0.26
8	T₂	594	566	0.26
8	T₂	594	566	0.26
9	T₂	175	167	9.03
9	T₂	175	167	9.03
9	T₂	175	167	9.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.856	0.856	0.856
C3	-0.856	-0.856	0.856
C4	-0.856	0.856	-0.856
C5	0.856	-0.856	-0.856
N6	1.532	1.532	1.532
N7	-1.532	-1.532	1.532
N8	-1.532	1.532	-1.532
N9	1.532	-1.532	-1.532

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4818	1.4818	1.4818	1.4818	2.6534	2.6534	2.6534	2.6534
C2	1.4818		2.4197	2.4197	2.4197	1.1716	3.4434	3.4434	3.4434
C3	1.4818	2.4197		2.4197	2.4197	3.4434	1.1716	3.4434	3.4434
C4	1.4818	2.4197	2.4197		2.4197	3.4434	3.4434	1.1716	3.4434
C5	1.4818	2.4197	2.4197	2.4197		3.4434	3.4434	3.4434	1.1716
N6	2.6534	1.1716	3.4434	3.4434	3.4434		4.3330	4.3330	4.3330
N7	2.6534	3.4434	1.1716	3.4434	3.4434	4.3330		4.3330	4.3330
N8	2.6534	3.4434	3.4434	1.1716	3.4434	4.3330	4.3330		4.3330
N9	2.6534	3.4434	3.4434	3.4434	1.1716	4.3330	4.3330	4.3330

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: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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