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	hartrees
Energy at 0K	-316.380887
Energy at 298.15K
HF Energy	-315.314146
Nuclear repulsion energy	210.328893

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.055	0.000
C2	-0.010	1.289	0.000
N3	0.149	2.500	0.000
C4	-0.010	-0.766	1.250
C5	-0.010	-0.766	-1.250
N6	-0.010	-1.346	2.272
N7	-0.010	-1.346	-2.272
H8	-0.660	3.128	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3441	2.5598	1.4379	1.4379	2.6126	2.6126	3.2489
C2	1.3441		1.2212	2.4055	2.4055	3.4788	3.4788	1.9506
N3	2.5598	1.2212		3.5008	3.5008	4.4692	4.4692	1.0245
C4	1.4379	2.4055	3.5008		2.4991	1.1747	3.5684	4.1415
C5	1.4379	2.4055	3.5008	2.4991		3.5684	1.1747	4.1415
N6	2.6126	3.4788	4.4692	1.1747	3.5684		4.5431	5.0594
N7	2.6126	3.4788	4.4692	3.5684	1.1747	4.5431		5.0594
H8	3.2489	1.9506	1.0245	4.1415	4.1415	5.0594	5.0594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.520	C1	C4	N6	179.887
C1	C5	N7	179.887	C2	C1	C4	119.657
C2	C1	C5	119.657	C2	N3	H8	120.342
C4	C1	C5	120.686

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

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