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	hartrees
Energy at 0K	-316.417187
Energy at 298.15K
HF Energy	-315.419983
Nuclear repulsion energy	212.913425

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.050	0.000
C2	-0.008	1.280	0.000
N3	0.139	2.472	0.000
C4	-0.008	-0.761	1.243
C5	-0.008	-0.761	-1.243
N6	-0.008	-1.331	2.241
N7	-0.008	-1.331	-2.241
H8	-0.670	3.083	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3306	2.5270	1.4319	1.4319	2.5812	2.5812	3.2023
C2	1.3306		1.2012	2.3899	2.3899	3.4412	3.4412	1.9203
N3	2.5270	1.2012		3.4672	3.4672	4.4172	4.4172	1.0138
C4	1.4319	2.3899	3.4672		2.4862	1.1493	3.5304	4.0936
C5	1.4319	2.3899	3.4672	2.4862		3.5304	1.1493	4.0936
N6	2.5812	3.4412	4.4172	1.1493	3.5304		4.4819	4.9944
N7	2.5812	3.4412	4.4172	3.5304	1.1493	4.4819		4.9944
H8	3.2023	1.9203	1.0138	4.0936	4.0936	4.9944	4.9944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.954	C1	C4	N6	179.996
C1	C5	N7	179.996	C2	C1	C4	119.754
C2	C1	C5	119.754	C2	N3	H8	119.969
C4	C1	C5	120.492

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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