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	hartrees
Energy at 0K	-405.702689
Energy at 298.15K	-405.701878
HF Energy	-404.736662
Nuclear repulsion energy	318.430172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2113	2003	0.00
2	A₁	573	543	0.00
3	E	625	592	0.00
3	E	625	592	0.00
4	E	132	126	0.00
4	E	132	126	0.00
5	T₁	419	397	0.00
5	T₁	419	397	0.00
5	T₁	419	397	0.00
6	T₂	2115	2005	31.22
6	T₂	2115	2005	31.22
6	T₂	2115	2005	31.22
7	T₂	1043	989	26.10
7	T₂	1043	989	26.10
7	T₂	1043	989	26.10
8	T₂	579	549	0.48
8	T₂	579	549	0.48
8	T₂	579	549	0.48
9	T₂	171	162	9.13
9	T₂	171	162	9.13
9	T₂	171	162	9.13

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	1.547	1.547	1.547
N7	-1.547	-1.547	1.547
N8	-1.547	1.547	-1.547
N9	1.547	-1.547	-1.547

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4887	1.4887	1.4887	1.4887	2.6793	2.6793	2.6793	2.6793
C2	1.4887		2.4310	2.4310	2.4310	1.1907	3.4719	3.4719	3.4719
C3	1.4887	2.4310		2.4310	2.4310	3.4719	1.1907	3.4719	3.4719
C4	1.4887	2.4310	2.4310		2.4310	3.4719	3.4719	1.1907	3.4719
C5	1.4887	2.4310	2.4310	2.4310		3.4719	3.4719	3.4719	1.1907
N6	2.6793	1.1907	3.4719	3.4719	3.4719		4.3753	4.3753	4.3753
N7	2.6793	3.4719	1.1907	3.4719	3.4719	4.3753		4.3753	4.3753
N8	2.6793	3.4719	3.4719	1.1907	3.4719	4.3753	4.3753		4.3753
N9	2.6793	3.4719	3.4719	3.4719	1.1907	4.3753	4.3753	4.3753

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: MP2=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: MP2=FULL/3-21G*

States and conformations

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