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	hartrees
Energy at 0K	-316.437356
Energy at 298.15K
HF Energy	-315.417329
Nuclear repulsion energy	212.193381

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.049	0.000
C2	-0.008	1.283	0.000
N3	0.140	2.480	0.000
C4	-0.008	-0.763	1.244
C5	-0.008	-0.763	-1.244
N6	-0.008	-1.336	2.249
N7	-0.008	-1.336	-2.249
H8	-0.672	3.091	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3327	2.5341	1.4337	1.4337	2.5911	2.5911	3.2100
C2	1.3327		1.2061	2.3943	2.3943	3.4526	3.4526	1.9260
N3	2.5341	1.2061		3.4764	3.4764	4.4324	4.4324	1.0163
C4	1.4337	2.3943	3.4764		2.4874	1.1574	3.5395	4.1036
C5	1.4337	2.3943	3.4764	2.4874		3.5395	1.1574	4.1036
N6	2.5911	3.4526	4.4324	1.1574	3.5395		4.4979	5.0101
N7	2.5911	3.4526	4.4324	3.5395	1.1574	4.4979		5.0101
H8	3.2100	1.9260	1.0163	4.1036	4.1036	5.0101	5.0101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.952	C1	C4	N6	179.881
C1	C5	N7	179.881	C2	C1	C4	119.832
C2	C1	C5	119.832	C2	N3	H8	119.894
C4	C1	C5	120.336

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

using model chemistry: CCSD/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/TZVP

States and conformations

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