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	hartrees
Energy at 0K	-316.611790
Energy at 298.15K
HF Energy	-315.432189
Nuclear repulsion energy	212.225405

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.056	0.000
C2	-0.006	1.279	0.000
N3	0.128	2.476	0.000
C4	-0.006	-0.763	1.246
C5	-0.006	-0.763	-1.246
N6	-0.006	-1.329	2.255
N7	-0.006	-1.329	-2.255
H8	-0.679	3.091	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3347	2.5353	1.4328	1.4328	2.5901	2.5901	3.2175
C2	1.3347		1.2045	2.3920	2.3920	3.4482	3.4482	1.9326
N3	2.5353	1.2045		3.4728	3.4728	4.4256	4.4256	1.0142
C4	1.4328	2.3920	3.4728		2.4926	1.1572	3.5471	4.1054
C5	1.4328	2.3920	3.4728	2.4926		3.5471	1.1572	4.1054
N6	2.5901	3.4482	4.4256	1.1572	3.5471		4.5103	5.0077
N7	2.5901	3.4482	4.4256	3.5471	1.1572	4.5103		5.0077
H8	3.2175	1.9326	1.0142	4.1054	4.1054	5.0077	5.0077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.627	C1	C4	N6	179.769
C1	C5	N7	179.769	C2	C1	C4	119.563
C2	C1	C5	119.563	C2	N3	H8	120.925
C4	C1	C5	120.874

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

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