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	hartrees
Energy at 0K	-316.616813
Energy at 298.15K
HF Energy	-315.414156
Nuclear repulsion energy	211.574850

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.051	0.000
C2	-0.011	1.287	0.000
N3	0.155	2.487	0.000
C4	-0.011	-0.763	1.244
C5	-0.011	-0.763	-1.244
N6	-0.011	-1.341	2.254
N7	-0.011	-1.341	-2.254
H8	-0.651	3.110	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3376	2.5435	1.4331	1.4331	2.5974	2.5974	3.2256
C2	1.3376		1.2120	2.3974	2.3974	3.4622	3.4622	1.9328
N3	2.5435	1.2120		3.4838	3.4838	4.4458	4.4458	1.0187
C4	1.4331	2.3974	3.4838		2.4877	1.1643	3.5457	4.1182
C5	1.4331	2.3974	3.4838	2.4877		3.5457	1.1643	4.1182
N6	2.5974	3.4622	4.4458	1.1643	3.5457		4.5088	5.0308
N7	2.5974	3.4622	4.4458	3.5457	1.1643	4.5088		5.0308
H8	3.2256	1.9328	1.0187	4.1182	4.1182	5.0308	5.0308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.119	C1	C4	N6	179.993
C1	C5	N7	179.993	C2	C1	C4	119.784
C2	C1	C5	119.784	C2	N3	H8	119.856
C4	C1	C5	120.433

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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