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	hartrees
Energy at 0K	-408.589339
Energy at 298.15K	-408.588111
HF Energy	-407.156225
Nuclear repulsion energy	324.526189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2496	2331	0.00
2	A₁	600	561	0.00
3	E	579	540	0.00
3	E	579	540	0.00
4	E	113	106	0.00
4	E	113	106	0.00
5	T₁	334	312	0.00
5	T₁	334	312	0.00
5	T₁	334	312	0.00
6	T₂	2482	2317	8.26
6	T₂	2482	2317	8.26
6	T₂	2482	2317	8.26
7	T₂	1131	1056	38.56
7	T₂	1131	1056	38.56
7	T₂	1131	1056	38.56
8	T₂	573	535	0.10
8	T₂	573	535	0.10
8	T₂	573	535	0.10
9	T₂	147	138	13.76
9	T₂	147	138	13.76
9	T₂	147	138	13.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.855	0.855	0.855
C3	-0.855	-0.855	0.855
C4	-0.855	0.855	-0.855
C5	0.855	-0.855	-0.855
N6	1.516	1.516	1.516
N7	-1.516	-1.516	1.516
N8	-1.516	1.516	-1.516
N9	1.516	-1.516	-1.516

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4812	1.4812	1.4812	1.4812	2.6260	2.6260	2.6260	2.6260
C2	1.4812		2.4187	2.4187	2.4187	1.1448	3.4180	3.4180	3.4180
C3	1.4812	2.4187		2.4187	2.4187	3.4180	1.1448	3.4180	3.4180
C4	1.4812	2.4187	2.4187		2.4187	3.4180	3.4180	1.1448	3.4180
C5	1.4812	2.4187	2.4187	2.4187		3.4180	3.4180	3.4180	1.1448
N6	2.6260	1.1448	3.4180	3.4180	3.4180		4.2882	4.2882	4.2882
N7	2.6260	3.4180	1.1448	3.4180	3.4180	4.2882		4.2882	4.2882
N8	2.6260	3.4180	3.4180	1.1448	3.4180	4.2882	4.2882		4.2882
N9	2.6260	3.4180	3.4180	3.4180	1.1448	4.2882	4.2882	4.2882

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: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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