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	hartrees
Energy at 0K	-316.404904
Energy at 298.15K
HF Energy	-315.387334
Nuclear repulsion energy	211.444289

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.053	0.000
C2	-0.006	1.286	0.000
N3	0.132	2.487	0.000
C4	-0.006	-0.766	1.250
C5	-0.006	-0.766	-1.250
N6	-0.006	-1.337	2.260
N7	-0.006	-1.337	-2.260
H8	-0.678	3.103	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3395	2.5445	1.4385	1.4385	2.5997	2.5997	3.2268
C2	1.3395		1.2091	2.4025	2.4025	3.4631	3.4631	1.9367
N3	2.5445	1.2091		3.4876	3.4876	4.4450	4.4450	1.0170
C4	1.4385	2.4025	3.4876		2.4996	1.1612	3.5566	4.1204
C5	1.4385	2.4025	3.4876	2.4996		3.5566	1.1612	4.1204
N6	2.5997	3.4631	4.4450	1.1612	3.5566		4.5210	5.0275
N7	2.5997	3.4631	4.4450	3.5566	1.1612	4.5210		5.0275
H8	3.2268	1.9367	1.0170	4.1204	4.1204	5.0275	5.0275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.437	C1	C4	N6	179.820
C1	C5	N7	179.820	C2	C1	C4	119.679
C2	C1	C5	119.679	C2	N3	H8	120.673
C4	C1	C5	120.642

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

using model chemistry: CCSD/6-311G*

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/6-311G*

States and conformations

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