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	hartrees
Energy at 0K	-189.074867
Energy at 298.15K
HF Energy	-188.167838
Nuclear repulsion energy	117.678756

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.590	0.033
C2	-0.314	-0.590	0.033
N3	-0.314	1.850	-0.109
N4	0.314	-1.850	-0.109
H5	1.396	0.629	0.034
H6	-1.396	-0.629	0.034
H7	-1.322	1.771	-0.072
H8	1.322	-1.771	-0.072
H9	-0.014	2.504	0.601
H10	0.014	-2.504	0.601

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3366	1.4153	2.4434	1.0823	2.1005	2.0212	2.5688	2.0232	3.1594
C2	1.3366		2.4434	1.4153	2.1005	1.0823	2.5688	2.0212	3.1594	2.0232
N3	1.4153	2.4434		3.7521	2.1060	2.7084	1.0117	3.9733	1.0110	4.4230
N4	2.4434	1.4153	3.7521		2.7084	2.1060	3.9733	1.0117	4.4230	1.0110
H5	1.0823	2.1005	2.1060	2.7084		3.0627	2.9503	2.4037	2.4129	3.4710
H6	2.1005	1.0823	2.7084	2.1060	3.0627		2.4037	2.9503	3.4710	2.4129
H7	2.0212	2.5688	1.0117	3.9733	2.9503	2.4037		4.4202	1.6436	4.5288
H8	2.5688	2.0212	3.9733	1.0117	2.4037	2.9503	4.4202		4.5288	1.6436
H9	2.0232	3.1594	1.0110	4.4230	2.4129	3.4710	1.6436	4.5288		5.0077
H10	3.1594	2.0232	4.4230	1.0110	3.4710	2.4129	4.5288	1.6436	5.0077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.196	C1	C2	H6	120.170
C1	N3	H7	111.701	C1	N3	H9	111.920
C2	C1	N3	125.196	C2	C1	H5	120.170
C2	N4	H8	111.701	C2	N4	H10	111.920
N3	C1	H5	114.301	N4	C2	H6	114.301
H7	N3	H9	108.700	H8	N4	H10	108.700

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: MP4=FULL/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 H2NCHCHNH2 (diaminoethylene)

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)