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	hartrees
Energy at 0K	-187.742477
Energy at 298.15K
HF Energy	-186.953209
Nuclear repulsion energy	101.454042

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.606	-0.001
C2	-0.014	-0.606	-0.001
N3	-0.014	1.973	-0.059
N4	0.014	-1.973	-0.059
H5	-0.319	2.410	0.799
H6	0.851	2.382	-0.383
H7	0.319	-2.410	0.799
H8	-0.851	-2.382	-0.383

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2125	1.3681	2.5794	2.0013	1.9999	3.1352	3.1342
C2	1.2125		2.5794	1.3681	3.1352	3.1342	2.0013	1.9999
N3	1.3681	2.5794		3.9455	1.0103	1.0105	4.4783	4.4460
N4	2.5794	1.3681	3.9455		4.4783	4.4460	1.0103	1.0105
H5	2.0013	3.1352	1.0103	4.4783		1.6637	4.8620	4.9641
H6	1.9999	3.1342	1.0105	4.4460	1.6637		4.9641	5.0587
H7	3.1352	2.0013	4.4783	1.0103	4.8620	4.9641		1.6637
H8	3.1342	1.9999	4.4460	1.0105	4.9641	5.0587	1.6637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	176.459	C1	N3	H5	113.735
C1	N3	H6	113.589	C2	C1	N3	176.459
C2	N4	H7	113.735	C2	N4	H8	113.589
H5	N3	H6	110.832	H7	N4	H8	110.832

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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 NH2CCNH2 (Diaminoacetylene)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)