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	hartrees
Energy at 0K	-315.736415
Energy at 298.15K
HF Energy	-315.169604
Nuclear repulsion energy	211.199352

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.052	0.000
C2	-0.009	1.292	0.000
N3	0.125	2.489	0.000
C4	-0.009	-0.768	1.243
C5	-0.009	-0.768	-1.243
N6	-0.009	-1.350	2.255
N7	-0.009	-1.350	-2.255
H8	-0.542	3.244	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3442	2.5445	1.4345	1.4345	2.6015	2.6015	3.3394
C2	1.3442		1.2043	2.4059	2.4059	3.4732	3.4732	2.0239
N3	2.5445	1.2043		3.4884	3.4884	4.4538	4.4538	1.0082
C4	1.4345	2.4059	3.4884		2.4866	1.1670	3.5462	4.2341
C5	1.4345	2.4059	3.4884	2.4866		3.5462	1.1670	4.2341
N6	2.6015	3.4732	4.4538	1.1670	3.5462		4.5096	5.1453
N7	2.6015	3.4732	4.4538	3.5462	1.1670	4.5096		5.1453
H8	3.3394	2.0239	1.0082	4.2341	4.2341	5.1453	5.1453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.597	C1	C4	N6	179.992
C1	C5	N7	179.992	C2	C1	C4	119.923
C2	C1	C5	119.923	C2	N3	H8	132.139
C4	C1	C5	120.153

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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