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	hartrees
Energy at 0K	-316.588670
Energy at 298.15K
HF Energy	-315.429232
Nuclear repulsion energy	212.343407

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.054	0.000
C2	-0.005	1.279	0.000
N3	0.125	2.476	0.000
C4	-0.005	-0.762	1.246
C5	-0.005	-0.762	-1.246
N6	-0.005	-1.330	2.253
N7	-0.005	-1.330	-2.253
H8	-0.688	3.082	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3338	2.5336	1.4328	1.4328	2.5889	2.5889	3.2096
C2	1.3338		1.2035	2.3917	2.3917	3.4473	3.4473	1.9273
N3	2.5336	1.2035		3.4719	3.4719	4.4244	4.4244	1.0138
C4	1.4328	2.3917	3.4719		2.4916	1.1561	3.5446	4.0981
C5	1.4328	2.3917	3.4719	2.4916		3.5446	1.1561	4.0981
N6	2.5889	3.4473	4.4244	1.1561	3.5446		4.5061	5.0003
N7	2.5889	3.4473	4.4244	3.5446	1.1561	4.5061		5.0003
H8	3.2096	1.9273	1.0138	4.0981	4.0981	5.0003	5.0003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.793	C1	C4	N6	179.791
C1	C5	N7	179.791	C2	C1	C4	119.603
C2	C1	C5	119.603	C2	N3	H8	120.494
C4	C1	C5	120.794

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

using model chemistry: CCSD/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 HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: CCSD/cc-pVTZ

States and conformations

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