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	hartrees
Energy at 0K	-316.409649
Energy at 298.15K
HF Energy	-315.386640
Nuclear repulsion energy	211.285750

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.054	0.000
C2	-0.007	1.286	0.000
N3	0.134	2.489	0.000
C4	-0.007	-0.766	1.250
C5	-0.007	-0.766	-1.250
N6	-0.007	-1.338	2.263
N7	-0.007	-1.338	-2.263
H8	-0.673	3.108	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3405	2.5468	1.4388	1.4388	2.6015	2.6015	3.2313
C2	1.3405		1.2107	2.4032	2.4032	3.4651	3.4651	1.9394
N3	2.5468	1.2107		3.4896	3.4896	4.4479	4.4479	1.0169
C4	1.4388	2.4032	3.4896		2.5006	1.1627	3.5592	4.1248
C5	1.4388	2.4032	3.4896	2.5006		3.5592	1.1627	4.1248
N6	2.6015	3.4651	4.4479	1.1627	3.5592		4.5252	5.0328
N7	2.6015	3.4651	4.4479	3.5592	1.1627	4.5252		5.0328
H8	3.2313	1.9394	1.0169	4.1248	4.1248	5.0328	5.0328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.313	C1	C4	N6	179.812
C1	C5	N7	179.812	C2	C1	C4	119.656
C2	C1	C5	119.656	C2	N3	H8	120.817
C4	C1	C5	120.687

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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