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	hartrees
Energy at 0K	-316.460833
Energy at 298.15K
HF Energy	-315.383066
Nuclear repulsion energy	210.587470

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.055	0.000
C2	-0.010	1.290	0.000
N3	0.148	2.497	0.000
C4	-0.010	-0.767	1.251
C5	-0.010	-0.767	-1.251
N6	-0.010	-1.343	2.269
N7	-0.010	-1.343	-2.269
H8	-0.655	3.125	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3457	2.5570	1.4394	1.4394	2.6091	2.6091	3.2451
C2	1.3457		1.2168	2.4079	2.4079	3.4764	3.4764	1.9448
N3	2.5570	1.2168		3.4989	3.4989	4.4633	4.4633	1.0197
C4	1.4394	2.4079	3.4989		2.5024	1.1697	3.5671	4.1387
C5	1.4394	2.4079	3.4989	2.5024		3.5671	1.1697	4.1387
N6	2.6091	3.4764	4.4633	1.1697	3.5671		4.5380	5.0528
N7	2.6091	3.4764	4.4633	3.5671	1.1697	4.5380		5.0528
H8	3.2451	1.9448	1.0197	4.1387	4.1387	5.0528	5.0528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.532	C1	C4	N6	179.899
C1	C5	N7	179.899	C2	C1	C4	119.629
C2	C1	C5	119.629	C2	N3	H8	120.557
C4	C1	C5	120.743

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

using model chemistry: QCISD(T)/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(T)/6-311G*

States and conformations

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