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	hartrees
Energy at 0K	-316.597664
Energy at 298.15K
HF Energy	-315.441190
Nuclear repulsion energy	212.363602

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.054	0.000
C2	-0.005	1.280	0.000
N3	0.124	2.475	0.000
C4	-0.005	-0.763	1.246
C5	-0.005	-0.763	-1.246
N6	-0.005	-1.330	2.253
N7	-0.005	-1.330	-2.253
H8	-0.684	3.086	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3342	2.5330	1.4333	1.4333	2.5887	2.5887	3.2130
C2	1.3342		1.2024	2.3925	2.3925	3.4474	3.4474	1.9296
N3	2.5330	1.2024		3.4717	3.4717	4.4237	4.4237	1.0133
C4	1.4333	2.3925	3.4717		2.4923	1.1555	3.5447	4.1018
C5	1.4333	2.3925	3.4717	2.4923		3.5447	1.1555	4.1018
N6	2.5887	3.4474	4.4237	1.1555	3.5447		4.5057	5.0034
N7	2.5887	3.4474	4.4237	3.5447	1.1555	4.5057		5.0034
H8	3.2130	1.9296	1.0133	4.1018	4.1018	5.0034	5.0034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.821	C1	C4	N6	179.785
C1	C5	N7	179.785	C2	C1	C4	119.608
C2	C1	C5	119.608	C2	N3	H8	120.888
C4	C1	C5	120.784

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

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

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