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	hartrees
Energy at 0K	-316.349058
Energy at 298.15K
HF Energy	-315.434045
Nuclear repulsion energy	214.512291

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	-0.057	0.000
C2	-0.002	1.268	0.000
N3	0.107	2.448	0.000
C4	-0.002	-0.758	1.240
C5	-0.002	-0.758	-1.240
N6	-0.002	-1.312	2.234
N7	-0.002	-1.312	-2.234
H8	-0.685	3.064	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3245	2.5072	1.4241	1.4241	2.5624	2.5624	3.1950
C2	1.3245		1.1853	2.3746	2.3746	3.4126	3.4126	1.9221
N3	2.5072	1.1853		3.4387	3.4387	4.3750	4.3750	1.0034
C4	1.4241	2.3746	3.4387		2.4794	1.1384	3.5175	4.0756
C5	1.4241	2.3746	3.4387	2.4794		3.5175	1.1384	4.0756
N6	2.5624	3.4126	4.3750	1.1384	3.5175		4.4677	4.9609
N7	2.5624	3.4126	4.3750	3.5175	1.1384	4.4677		4.9609
H8	3.1950	1.9221	1.0034	4.0756	4.0756	4.9609	4.9609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.739	C1	C4	N6	179.675
C1	C5	N7	179.675	C2	C1	C4	119.479
C2	C1	C5	119.479	C2	N3	H8	122.632
C4	C1	C5	121.042

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

using model chemistry: CISD/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: CISD/cc-pVTZ

States and conformations

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