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	hartrees
Energy at 0K	-316.097508
Energy at 298.15K
HF Energy	-315.323635
Nuclear repulsion energy	213.038493

Atom	x (Å)	y (Å)	z (Å)
C1	-0.003	-0.056	0.000
C2	-0.003	1.275	0.000
N3	0.114	2.466	0.000
C4	-0.003	-0.762	1.244
C5	-0.003	-0.762	-1.244
N6	-0.003	-1.324	2.247
N7	-0.003	-1.324	-2.247
H8	-0.681	3.090	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3310	2.5246	1.4305	1.4305	2.5802	2.5802	3.2184
C2	1.3310		1.1967	2.3868	2.3868	3.4356	3.4356	1.9377
N3	2.5246	1.1967		3.4613	3.4613	4.4074	4.4074	1.0109
C4	1.4305	2.3868	3.4613		2.4884	1.1497	3.5364	4.1043
C5	1.4305	2.3868	3.4613	2.4884		3.5364	1.1497	4.1043
N6	2.5802	3.4356	4.4074	1.1497	3.5364		4.4945	4.9992
N7	2.5802	3.4356	4.4074	3.5364	1.1497	4.4945		4.9992
H8	3.2184	1.9377	1.0109	4.1043	4.1043	4.9992	4.9992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.397	C1	C4	N6	179.684
C1	C5	N7	179.684	C2	C1	C4	119.569
C2	C1	C5	119.569	C2	N3	H8	122.525
C4	C1	C5	120.863

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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