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	hartrees
Energy at 0K	-316.326787
Energy at 298.15K
HF Energy	-315.329401
Nuclear repulsion energy	210.795917

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.052	0.000
C2	-0.010	1.289	0.000
N3	0.150	2.494	0.000
C4	-0.010	-0.766	1.250
C5	-0.010	-0.766	-1.250
N6	-0.010	-1.343	2.267
N7	-0.010	-1.343	-2.267
H8	-0.656	3.116	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3409	2.5517	1.4396	1.4396	2.6083	2.6083	3.2330
C2	1.3409		1.2164	2.4053	2.4053	3.4731	3.4731	1.9377
N3	2.5517	1.2164		3.4958	3.4958	4.4596	4.4596	1.0173
C4	1.4396	2.4053	3.4958		2.4999	1.1688	3.5635	4.1290
C5	1.4396	2.4053	3.4958	2.4999		3.5635	1.1688	4.1290
N6	2.6083	3.4731	4.4596	1.1688	3.5635		4.5333	5.0431
N7	2.6083	3.4731	4.4596	3.5635	1.1688	4.5333		5.0431
H8	3.2330	1.9377	1.0173	4.1290	4.1290	5.0431	5.0431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.441	C1	C4	N6	179.817
C1	C5	N7	179.817	C2	C1	C4	119.740
C2	C1	C5	119.740	C2	N3	H8	120.077
C4	C1	C5	120.521

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

using model chemistry: CCSD/6-31+G**

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/6-31+G**

States and conformations

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