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	hartrees
Energy at 0K	-314.258624
Energy at 298.15K
HF Energy	-313.550550
Nuclear repulsion energy	210.245572

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	-0.047	0.000
C2	-0.001	1.297	0.000
N3	0.098	2.506	0.000
C4	-0.001	-0.769	1.245
C5	-0.001	-0.769	-1.245
N6	-0.001	-1.359	2.262
N7	-0.001	-1.359	-2.262
H8	-0.649	3.208	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3441	2.5556	1.4391	1.4391	2.6147	2.6147	3.3188
C2	1.3441		1.2135	2.4119	2.4119	3.4885	3.4885	2.0176
N3	2.5556	1.2135		3.5052	3.5052	4.4796	4.4796	1.0244
C4	1.4391	2.4119	3.5052		2.4904	1.1756	3.5563	4.2168
C5	1.4391	2.4119	3.5052	2.4904		3.5563	1.1756	4.2168
N6	2.6147	3.4885	4.4796	1.1756	3.5563		4.5236	5.1371
N7	2.6147	3.4885	4.4796	3.5563	1.1756	4.5236		5.1371
H8	3.3188	2.0176	1.0244	4.2168	4.2168	5.1371	5.1371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.333	C1	C4	N6	179.944
C1	C5	N7	179.944	C2	C1	C4	120.087
C2	C1	C5	120.087	C2	N3	H8	128.531
C4	C1	C5	119.826

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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