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	hartrees
Energy at 0K	-316.655260
Energy at 298.15K
HF Energy	-315.425450
Nuclear repulsion energy	211.505348

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.056	0.000
C2	-0.008	1.283	0.000
N3	0.139	2.485	0.000
C4	-0.008	-0.764	1.247
C5	-0.008	-0.764	-1.247
N6	-0.008	-1.335	2.261
N7	-0.008	-1.335	-2.261
H8	-0.671	3.100	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3397	2.5459	1.4335	1.4335	2.5981	2.5981	3.2252
C2	1.3397		1.2110	2.3968	2.3968	3.4600	3.4600	1.9338
N3	2.5459	1.2110		3.4831	3.4831	4.4422	4.4422	1.0170
C4	1.4335	2.3968	3.4831		2.4938	1.1645	3.5546	4.1136
C5	1.4335	2.3968	3.4831	2.4938		3.5546	1.1645	4.1136
N6	2.5981	3.4600	4.4422	1.1645	3.5546		4.5229	5.0225
N7	2.5981	3.4600	4.4422	3.5546	1.1645	4.5229		5.0225
H8	3.2252	1.9338	1.0170	4.1136	4.1136	5.0225	5.0225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.020	C1	C4	N6	179.841
C1	C5	N7	179.841	C2	C1	C4	119.563
C2	C1	C5	119.563	C2	N3	H8	120.204
C4	C1	C5	120.874

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

using model chemistry: CCSD(T)/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(T)/cc-pVTZ

States and conformations

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