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	hartrees
Energy at 0K	-316.121322
Energy at 298.15K
HF Energy	-315.351485
Nuclear repulsion energy	212.200375

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	-0.055	0.000
C2	-0.001	1.282	0.000
N3	0.111	2.479	0.000
C4	-0.001	-0.764	1.250
C5	-0.001	-0.764	-1.250
N6	-0.001	-1.329	2.256
N7	-0.001	-1.329	-2.256
H8	-0.722	3.061	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3376	2.5368	1.4368	1.4368	2.5902	2.5902	3.1986
C2	1.3376		1.2020	2.3979	2.3979	3.4502	3.4502	1.9192
N3	2.5368	1.2020		3.4775	3.4775	4.4269	4.4269	1.0165
C4	1.4368	2.3979	3.4775		2.4995	1.1534	3.5506	4.0883
C5	1.4368	2.3979	3.4775	2.4995		3.5506	1.1534	4.0883
N6	2.5902	3.4502	4.4269	1.1534	3.5506		4.5114	4.9875
N7	2.5902	3.4502	4.4269	3.5506	1.1534	4.5114		4.9875
H8	3.1986	1.9192	1.0165	4.0883	4.0883	4.9875	4.9875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.623	C1	C4	N6	179.726
C1	C5	N7	179.726	C2	C1	C4	119.563
C2	C1	C5	119.563	C2	N3	H8	119.555
C4	C1	C5	120.874

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

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

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