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	hartrees
Energy at 0K	-316.493930
Energy at 298.15K
HF Energy	-315.413231
Nuclear repulsion energy	211.330442

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.052	0.000
C2	-0.012	1.288	0.000
N3	0.159	2.489	0.000
C4	-0.012	-0.764	1.245
C5	-0.012	-0.764	-1.245
N6	-0.012	-1.342	2.257
N7	-0.012	-1.342	-2.257
H8	-0.646	3.115	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3391	2.5467	1.4345	1.4345	2.6003	2.6003	3.2290
C2	1.3391		1.2140	2.3997	2.3997	3.4658	3.4658	1.9339
N3	2.5467	1.2140		3.4876	3.4876	4.4505	4.4505	1.0193
C4	1.4345	2.3997	3.4876		2.4904	1.1658	3.5500	4.1224
C5	1.4345	2.3997	3.4876	2.4904		3.5500	1.1658	4.1224
N6	2.6003	3.4658	4.4505	1.1658	3.5500		4.5147	5.0360
N7	2.6003	3.4658	4.4505	3.5500	1.1658	4.5147		5.0360
H8	3.2290	1.9339	1.0193	4.1224	4.1224	5.0360	5.0360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	171.897	C1	C4	N6	179.979
C1	C5	N7	179.979	C2	C1	C4	119.770
C2	C1	C5	119.770	C2	N3	H8	119.725
C4	C1	C5	120.460

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

using model chemistry: QCISD(T)/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: QCISD(T)/TZVP

States and conformations

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