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	hartrees
Energy at 0K	-314.119166
Energy at 298.15K
HF Energy	-313.558619
Nuclear repulsion energy	212.701917

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-0.051	0.000
C2	0.002	1.284	0.000
N3	0.078	2.473	0.000
C4	0.002	-0.762	1.236
C5	0.002	-0.762	-1.236
N6	0.002	-1.341	2.239
N7	0.002	-1.341	-2.239
H8	-0.619	3.206	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3349	2.5249	1.4266	1.4266	2.5836	2.5836	3.3157
C2	1.3349		1.1913	2.3911	2.3911	3.4497	3.4497	2.0200
N3	2.5249	1.1913		3.4645	3.4645	4.4227	4.4227	1.0118
C4	1.4266	2.3911	3.4645		2.4728	1.1570	3.5228	4.2030
C5	1.4266	2.3911	3.4645	2.4728		3.5228	1.1570	4.2030
N6	2.5836	3.4497	4.4227	1.1570	3.5228		4.4774	5.1059
N7	2.5836	3.4497	4.4227	3.5228	1.1570	4.4774		5.1059
H8	3.3157	2.0200	1.0118	4.2030	4.2030	5.1059	5.1059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.335	C1	C4	N6	179.953
C1	C5	N7	179.953	C2	C1	C4	119.926
C2	C1	C5	119.926	C2	N3	H8	132.779
C4	C1	C5	120.148

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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