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	hartrees
Energy at 0K	-408.650502
Energy at 298.15K	-408.649256
HF Energy	-407.161129
Nuclear repulsion energy	323.065435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2361	2256	0.00
2	A₁	587	561	0.00
3	E	578	552	0.00
3	E	578	552	0.00
4	E	113	108	0.00
4	E	113	108	0.00
5	T₁	338	323	0.00
5	T₁	338	323	0.00
5	T₁	338	323	0.00
6	T₂	2356	2252	11.18
6	T₂	2356	2252	11.18
6	T₂	2356	2252	11.18
7	T₂	1102	1053	31.51
7	T₂	1102	1053	31.51
7	T₂	1102	1053	31.51
8	T₂	561	536	0.07
8	T₂	561	536	0.07
8	T₂	561	536	0.07
9	T₂	148	141	14.07
9	T₂	148	141	14.07
9	T₂	148	141	14.07

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	1.523	1.523	1.523
N7	-1.523	-1.523	1.523
N8	-1.523	1.523	-1.523
N9	1.523	-1.523	-1.523

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4840	1.4840	1.4840	1.4840	2.6383	2.6383	2.6383	2.6383
C2	1.4840		2.4234	2.4234	2.4234	1.1543	3.4313	3.4313	3.4313
C3	1.4840	2.4234		2.4234	2.4234	3.4313	1.1543	3.4313	3.4313
C4	1.4840	2.4234	2.4234		2.4234	3.4313	3.4313	1.1543	3.4313
C5	1.4840	2.4234	2.4234	2.4234		3.4313	3.4313	3.4313	1.1543
N6	2.6383	1.1543	3.4313	3.4313	3.4313		4.3084	4.3084	4.3084
N7	2.6383	3.4313	1.1543	3.4313	3.4313	4.3084		4.3084	4.3084
N8	2.6383	3.4313	3.4313	1.1543	3.4313	4.3084	4.3084		4.3084
N9	2.6383	3.4313	3.4313	3.4313	1.1543	4.3084	4.3084	4.3084

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/cc-pVTZ

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/cc-pVTZ

States and conformations

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