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	hartrees
Energy at 0K	-316.358550
Energy at 298.15K
HF Energy	-315.318255
Nuclear repulsion energy	210.184890

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.055	0.000
C2	-0.010	1.290	0.000
N3	0.149	2.502	0.000
C4	-0.010	-0.767	1.251
C5	-0.010	-0.767	-1.251
N6	-0.010	-1.346	2.274
N7	-0.010	-1.346	-2.274
H8	-0.664	3.116	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3454	2.5623	1.4395	1.4395	2.6149	2.6149	3.2378
C2	1.3454		1.2224	2.4079	2.4079	3.4816	3.4816	1.9393
N3	2.5623	1.2224		3.5041	3.5041	4.4727	4.4727	1.0193
C4	1.4395	2.4079	3.5041		2.5022	1.1754	3.5724	4.1317
C5	1.4395	2.4079	3.5041	2.5022		3.5724	1.1754	4.1317
N6	2.6149	3.4816	4.4727	1.1754	3.5724		4.5481	5.0506
N7	2.6149	3.4816	4.4727	3.5724	1.1754	4.5481		5.0506
H8	3.2378	1.9393	1.0193	4.1317	4.1317	5.0506	5.0506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.500	C1	C4	N6	179.866
C1	C5	N7	179.866	C2	C1	C4	119.643
C2	C1	C5	119.643	C2	N3	H8	119.524
C4	C1	C5	120.714

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

using model chemistry: CCSD(T)/6-31G**

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)/6-31G**

States and conformations

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