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	hartrees
Energy at 0K	-316.281779
Energy at 298.15K
HF Energy	-315.320353
Nuclear repulsion energy	211.564794

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.054	0.000
C2	-0.007	1.284	0.000
N3	0.135	2.486	0.000
C4	-0.007	-0.765	1.249
C5	-0.007	-0.765	-1.249
N6	-0.007	-1.336	2.259
N7	-0.007	-1.336	-2.259
H8	-0.674	3.107	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3381	2.5441	1.4373	1.4373	2.5974	2.5974	3.2304
C2	1.3381		1.2104	2.3995	2.3995	3.4593	3.4593	1.9408
N3	2.5441	1.2104		3.4853	3.4853	4.4418	4.4418	1.0195
C4	1.4373	2.3995	3.4853		2.4989	1.1601	3.5548	4.1222
C5	1.4373	2.3995	3.4853	2.4989		3.5548	1.1601	4.1222
N6	2.5974	3.4593	4.4418	1.1601	3.5548		4.5183	5.0284
N7	2.5974	3.4593	4.4418	3.5548	1.1601	4.5183		5.0284
H8	3.2304	1.9408	1.0195	4.1222	4.1222	5.0284	5.0284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.254	C1	C4	N6	179.880
C1	C5	N7	179.880	C2	C1	C4	119.621
C2	C1	C5	119.621	C2	N3	H8	120.767
C4	C1	C5	120.758

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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