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	hartrees
Energy at 0K	-189.001416
Energy at 298.15K
HF Energy	-188.167264
Nuclear repulsion energy	117.258564

Atom	x (Å)	y (Å)	z (Å)
C1	0.317	0.591	0.033
C2	-0.317	-0.591	0.033
N3	-0.317	1.855	-0.110
N4	0.317	-1.855	-0.110
H5	1.403	0.632	0.033
H6	-1.403	-0.632	0.033
H7	-1.326	1.777	-0.050
H8	1.326	-1.777	-0.050
H9	-0.003	2.514	0.592
H10	0.003	-2.514	0.592

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3413	1.4219	2.4507	1.0868	2.1108	2.0278	2.5750	2.0286	3.1709
C2	1.3413		2.4507	1.4219	2.1108	1.0868	2.5750	2.0278	3.1709	2.0286
N3	1.4219	2.4507		3.7648	2.1154	2.7184	1.0136	3.9870	1.0133	4.4377
N4	2.4507	1.4219	3.7648		2.7184	2.1154	3.9870	1.0136	4.4377	1.0133
H5	1.0868	2.1108	2.1154	2.7184		3.0780	2.9602	2.4119	2.4152	3.4893
H6	2.1108	1.0868	2.7184	2.1154	3.0780		2.4119	2.9602	3.4893	2.4152
H7	2.0278	2.5750	1.0136	3.9870	2.9602	2.4119		4.4338	1.6450	4.5380
H8	2.5750	2.0278	3.9870	1.0136	2.4119	2.9602	4.4338		4.5380	1.6450
H9	2.0286	3.1709	1.0133	4.4377	2.4152	3.4893	1.6450	4.5380		5.0288
H10	3.1709	2.0286	4.4377	1.0133	3.4893	2.4152	4.5380	1.6450	5.0288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.944	C1	C2	H6	120.405
C1	N3	H7	111.638	C1	N3	H9	111.728
C2	C1	N3	124.944	C2	C1	H5	120.405
C2	N4	H8	111.638	C2	N4	H10	111.728
N3	C1	H5	114.310	N4	C2	H6	114.310
H7	N3	H9	108.500	H8	N4	H10	108.500

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)