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	hartrees
Energy at 0K	-189.072355
Energy at 298.15K
HF Energy	-188.168006
Nuclear repulsion energy	117.731180

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.589	0.031
C2	-0.314	-0.589	0.031
N3	-0.314	1.849	-0.108
N4	0.314	-1.849	-0.108
H5	1.396	0.629	0.032
H6	-1.396	-0.629	0.032
H7	-1.322	1.771	-0.070
H8	1.322	-1.771	-0.070
H9	-0.013	2.501	0.603
H10	0.013	-2.501	0.603

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3351	1.4153	2.4418	1.0819	2.0995	2.0210	2.5677	2.0224	3.1565
C2	1.3351		2.4418	1.4153	2.0995	1.0819	2.5677	2.0210	3.1565	2.0224
N3	1.4153	2.4418		3.7511	2.1054	2.7073	1.0108	3.9727	1.0104	4.4198
N4	2.4418	1.4153	3.7511		2.7073	2.1054	3.9727	1.0108	4.4198	1.0104
H5	1.0819	2.0995	2.1054	2.7073		3.0618	2.9492	2.4033	2.4113	3.4690
H6	2.0995	1.0819	2.7073	2.1054	3.0618		2.4033	2.9492	3.4690	2.4113
H7	2.0210	2.5677	1.0108	3.9727	2.9492	2.4033		4.4194	1.6425	4.5258
H8	2.5677	2.0210	3.9727	1.0108	2.4033	2.9492	4.4194		4.5258	1.6425
H9	2.0224	3.1565	1.0104	4.4198	2.4113	3.4690	1.6425	4.5258		5.0019
H10	3.1565	2.0224	4.4198	1.0104	3.4690	2.4113	4.5258	1.6425	5.0019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.171	C1	C2	H6	120.239
C1	N3	H7	111.734	C1	N3	H9	111.884
C2	C1	N3	125.171	C2	C1	H5	120.239
C2	N4	H8	111.734	C2	N4	H10	111.884
N3	C1	H5	114.272	N4	C2	H6	114.272
H7	N3	H9	108.707	H8	N4	H10	108.707

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)