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	hartrees
Energy at 0K	-316.463935
Energy at 298.15K
HF Energy	-315.352732
Nuclear repulsion energy	212.352653

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	-0.054	0.000
C2	-0.004	1.278	0.000
N3	0.122	2.475	0.000
C4	-0.004	-0.762	1.245
C5	-0.004	-0.762	-1.245
N6	-0.004	-1.330	2.253
N7	-0.004	-1.330	-2.253
H8	-0.686	3.088	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3317	2.5316	1.4326	1.4326	2.5896	2.5896	3.2145
C2	1.3317		1.2034	2.3900	2.3900	3.4465	3.4465	1.9338
N3	2.5316	1.2034		3.4703	3.4703	4.4236	4.4236	1.0148
C4	1.4326	2.3900	3.4703		2.4906	1.1570	3.5445	4.1030
C5	1.4326	2.3900	3.4703	2.4906		3.5445	1.1570	4.1030
N6	2.5896	3.4465	4.4236	1.1570	3.5445		4.5068	5.0056
N7	2.5896	3.4465	4.4236	3.5445	1.1570	4.5068		5.0056
H8	3.2145	1.9338	1.0148	4.1030	4.1030	5.0056	5.0056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.944	C1	C4	N6	179.765
C1	C5	N7	179.765	C2	C1	C4	119.628
C2	C1	C5	119.628	C2	N3	H8	121.094
C4	C1	C5	120.744

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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