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	hartrees
Energy at 0K	-316.307353
Energy at 298.15K
HF Energy	-315.332349
Nuclear repulsion energy	211.500490

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.053	0.000
C2	-0.010	1.286	0.000
N3	0.149	2.486	0.000
C4	-0.010	-0.765	1.249
C5	-0.010	-0.765	-1.249
N6	-0.010	-1.338	2.259
N7	-0.010	-1.338	-2.259
H8	-0.651	3.110	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3386	2.5444	1.4378	1.4378	2.5986	2.5986	3.2269
C2	1.3386		1.2114	2.4011	2.4011	3.4619	3.4619	1.9333
N3	2.5444	1.2114		3.4867	3.4867	4.4444	4.4444	1.0147
C4	1.4378	2.4011	3.4867		2.4985	1.1607	3.5544	4.1211
C5	1.4378	2.4011	3.4867	2.4985		3.5544	1.1607	4.1211
N6	2.5986	3.4619	4.4444	1.1607	3.5544		4.5174	5.0292
N7	2.5986	3.4619	4.4444	3.5544	1.1607	4.5174		5.0292
H8	3.2269	1.9333	1.0147	4.1211	4.1211	5.0292	5.0292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.421	C1	C4	N6	179.906
C1	C5	N7	179.906	C2	C1	C4	119.676
C2	C1	C5	119.676	C2	N3	H8	120.311
C4	C1	C5	120.649

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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