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	hartrees
Energy at 0K	-409.102424
Energy at 298.15K	-409.101034
HF Energy	-408.649602
Nuclear repulsion energy	321.026585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2280	2193	0.00
2	A₁	583	561	0.00
3	E	559	537	0.00
3	E	559	537	0.00
4	E	109	105	0.00
4	E	109	105	0.00
5	T₁	327	314	0.00
5	T₁	327	314	0.00
5	T₁	327	314	0.00
6	T₂	2277	2190	16.04
6	T₂	2277	2190	16.04
6	T₂	2277	2190	16.04
7	T₂	1074	1033	33.32
7	T₂	1074	1033	33.32
7	T₂	1074	1033	33.32
8	T₂	545	525	0.02
8	T₂	545	525	0.02
8	T₂	545	525	0.02
9	T₂	143	138	13.40
9	T₂	143	138	13.40
9	T₂	143	138	13.40

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	1.533	1.533	1.533
N7	-1.533	-1.533	1.533
N8	-1.533	1.533	-1.533
N9	1.533	-1.533	-1.533

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4877	1.4877	1.4877	1.4877	2.6559	2.6559	2.6559	2.6559
C2	1.4877		2.4294	2.4294	2.4294	1.1682	3.4498	3.4498	3.4498
C3	1.4877	2.4294		2.4294	2.4294	3.4498	1.1682	3.4498	3.4498
C4	1.4877	2.4294	2.4294		2.4294	3.4498	3.4498	1.1682	3.4498
C5	1.4877	2.4294	2.4294	2.4294		3.4498	3.4498	3.4498	1.1682
N6	2.6559	1.1682	3.4498	3.4498	3.4498		4.3371	4.3371	4.3371
N7	2.6559	3.4498	1.1682	3.4498	3.4498	4.3371		4.3371	4.3371
N8	2.6559	3.4498	3.4498	1.1682	3.4498	4.3371	4.3371		4.3371
N9	2.6559	3.4498	3.4498	3.4498	1.1682	4.3371	4.3371	4.3371

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/aug-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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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