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	hartrees
Energy at 0K	-316.561710
Energy at 298.15K
HF Energy	-315.417751
Nuclear repulsion energy	212.352731

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.049	0.000
C2	-0.008	1.282	0.000
N3	0.137	2.479	0.000
C4	-0.008	-0.762	1.243
C5	-0.008	-0.762	-1.243
N6	-0.008	-1.335	2.247
N7	-0.008	-1.335	-2.247
H8	-0.673	3.091	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3318	2.5321	1.4326	1.4326	2.5891	2.5891	3.2098
C2	1.3318		1.2049	2.3926	2.3926	3.4500	3.4500	1.9269
N3	2.5321	1.2049		3.4738	3.4738	4.4291	4.4291	1.0158
C4	1.4326	2.3926	3.4738		2.4854	1.1566	3.5367	4.1026
C5	1.4326	2.3926	3.4738	2.4854		3.5367	1.1566	4.1026
N6	2.5891	3.4500	4.4291	1.1566	3.5367		4.4944	5.0083
N7	2.5891	3.4500	4.4291	3.5367	1.1566	4.4944		5.0083
H8	3.2098	1.9269	1.0158	4.1026	4.1026	5.0083	5.0083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.092	C1	C4	N6	179.880
C1	C5	N7	179.880	C2	C1	C4	119.834
C2	C1	C5	119.834	C2	N3	H8	120.144
C4	C1	C5	120.331

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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