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	hartrees
Energy at 0K	-316.578354
Energy at 298.15K
HF Energy	-315.431418
Nuclear repulsion energy	212.922216

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	-0.761	1.246
C5	-0.005	-0.761	-1.246
N6	-0.005	-1.325	2.247
N7	-0.005	-1.325	-2.247
H8	-0.685	3.077	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3325	2.5280	1.4318	1.4318	2.5808	2.5808	3.2055
C2	1.3325		1.1992	2.3889	2.3889	3.4380	3.4380	1.9242
N3	2.5280	1.1992		3.4648	3.4648	4.4116	4.4116	1.0119
C4	1.4318	2.3889	3.4648		2.4915	1.1491	3.5380	4.0923
C5	1.4318	2.3889	3.4648	2.4915		3.5380	1.1491	4.0923
N6	2.5808	3.4380	4.4116	1.1491	3.5380		4.4941	4.9889
N7	2.5808	3.4380	4.4116	3.5380	1.1491	4.4941		4.9889
H8	3.2055	1.9242	1.0119	4.0923	4.0923	4.9889	4.9889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.826	C1	C4	N6	179.843
C1	C5	N7	179.843	C2	C1	C4	119.535
C2	C1	C5	119.535	C2	N3	H8	120.741
C4	C1	C5	120.931

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

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

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