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	hartrees
Energy at 0K	-316.587530
Energy at 298.15K
HF Energy	-315.443353
Nuclear repulsion energy	212.932894

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.056	0.000
C2	-0.005	1.277	0.000
N3	0.124	2.469	0.000
C4	-0.005	-0.762	1.246
C5	-0.005	-0.762	-1.246
N6	-0.005	-1.325	2.247
N7	-0.005	-1.325	-2.247
H8	-0.680	3.082	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3329	2.5275	1.4323	1.4323	2.5808	2.5808	3.2092
C2	1.3329		1.1982	2.3897	2.3897	3.4382	3.4382	1.9267
N3	2.5275	1.1982		3.4647	3.4647	4.4111	4.4111	1.0114
C4	1.4323	2.3897	3.4647		2.4922	1.1485	3.5382	4.0965
C5	1.4323	2.3897	3.4647	2.4922		3.5382	1.1485	4.0965
N6	2.5808	3.4382	4.4111	1.1485	3.5382		4.4939	4.9925
N7	2.5808	3.4382	4.4111	3.5382	1.1485	4.4939		4.9925
H8	3.2092	1.9267	1.0114	4.0965	4.0965	4.9925	4.9925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.826	C1	C4	N6	179.836
C1	C5	N7	179.836	C2	C1	C4	119.539
C2	C1	C5	119.539	C2	N3	H8	121.145
C4	C1	C5	120.922

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

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

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