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	hartrees
Energy at 0K	-316.301536
Energy at 298.15K
HF Energy	-315.317348
Nuclear repulsion energy	210.849518

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.053	0.000
C2	-0.007	1.287	0.000
N3	0.136	2.494	0.000
C4	-0.007	-0.766	1.250
C5	-0.007	-0.766	-1.250
N6	-0.007	-1.341	2.267
N7	-0.007	-1.341	-2.267
H8	-0.679	3.111	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3402	2.5517	1.4391	1.4391	2.6072	2.6072	3.2351
C2	1.3402		1.2159	2.4038	2.4038	3.4707	3.4707	1.9441
N3	2.5517	1.2159		3.4949	3.4949	4.4577	4.4577	1.0223
C4	1.4391	2.4038	3.4949		2.5002	1.1681	3.5637	4.1290
C5	1.4391	2.4038	3.4949	2.5002		3.5637	1.1681	4.1290
N6	2.6072	3.4707	4.4577	1.1681	3.5637		4.5338	5.0413
N7	2.6072	3.4707	4.4577	3.5637	1.1681	4.5338		5.0413
H8	3.2351	1.9441	1.0223	4.1290	4.1290	5.0413	5.0413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.231	C1	C4	N6	179.798
C1	C5	N7	179.798	C2	C1	C4	119.694
C2	C1	C5	119.694	C2	N3	H8	120.347
C4	C1	C5	120.612

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

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

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