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	hartrees
Energy at 0K	-408.334174
Energy at 298.15K	-408.332776
HF Energy	-407.042526
Nuclear repulsion energy	319.164756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2159	2052	0.00
2	A₁	588	559	0.00
3	E	557	530	0.00
3	E	557	530	0.00
4	E	109	104	0.00
4	E	109	104	0.00
5	T₁	330	313	0.00
5	T₁	330	313	0.00
5	T₁	330	313	0.00
6	T₂	2166	2059	31.18
6	T₂	2166	2059	31.18
6	T₂	2166	2059	31.18
7	T₂	1089	1035	27.74
7	T₂	1089	1035	27.74
7	T₂	1089	1035	27.74
8	T₂	545	518	0.24
8	T₂	545	518	0.24
8	T₂	545	518	0.24
9	T₂	141	134	10.74
9	T₂	141	134	10.74
9	T₂	141	134	10.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.858	0.858	0.858
C3	-0.858	-0.858	0.858
C4	-0.858	0.858	-0.858
C5	0.858	-0.858	-0.858
N6	1.543	1.543	1.543
N7	-1.543	-1.543	1.543
N8	-1.543	1.543	-1.543
N9	1.543	-1.543	-1.543

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4864	1.4864	1.4864	1.4864	2.6730	2.6730	2.6730	2.6730
C2	1.4864		2.4273	2.4273	2.4273	1.1865	3.4645	3.4645	3.4645
C3	1.4864	2.4273		2.4273	2.4273	3.4645	1.1865	3.4645	3.4645
C4	1.4864	2.4273	2.4273		2.4273	3.4645	3.4645	1.1865	3.4645
C5	1.4864	2.4273	2.4273	2.4273		3.4645	3.4645	3.4645	1.1865
N6	2.6730	1.1865	3.4645	3.4645	3.4645		4.3649	4.3649	4.3649
N7	2.6730	3.4645	1.1865	3.4645	3.4645	4.3649		4.3649	4.3649
N8	2.6730	3.4645	3.4645	1.1865	3.4645	4.3649	4.3649		4.3649
N9	2.6730	3.4645	3.4645	3.4645	1.1865	4.3649	4.3649	4.3649

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/cc-pVDZ

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/cc-pVDZ

States and conformations

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