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	hartrees
Energy at 0K	-316.468037
Energy at 298.15K
HF Energy	-315.387603
Nuclear repulsion energy	210.657576

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.054	0.000
C2	-0.008	1.290	0.000
N3	0.142	2.498	0.000
C4	-0.008	-0.766	1.251
C5	-0.008	-0.766	-1.251
N6	-0.008	-1.343	2.268
N7	-0.008	-1.343	-2.268
H8	-0.687	3.094	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3445	2.5572	1.4395	1.4395	2.6085	2.6085	3.2212
C2	1.3445		1.2176	2.4072	2.4072	3.4752	3.4752	1.9279
N3	2.5572	1.2176		3.4995	3.4995	4.4634	4.4634	1.0212
C4	1.4395	2.4072	3.4995		2.5023	1.1690	3.5661	4.1149
C5	1.4395	2.4072	3.4995	2.5023		3.5661	1.1690	4.1149
N6	2.6085	3.4752	4.4634	1.1690	3.5661		4.5361	5.0294
N7	2.6085	3.4752	4.4634	3.5661	1.1690	4.5361		5.0294
H8	3.2212	1.9279	1.0212	4.1149	4.1149	5.0294	5.0294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.917	C1	C4	N6	179.908
C1	C5	N7	179.908	C2	C1	C4	119.642
C2	C1	C5	119.642	C2	N3	H8	118.621
C4	C1	C5	120.716

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)

using model chemistry: CCSD(T)/6-311G**

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 HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: CCSD(T)/6-311G**

States and conformations

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)