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	hartrees
Energy at 0K	-188.813799
Energy at 298.15K
HF Energy	-188.121521
Nuclear repulsion energy	116.619059

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.595	0.031
C2	-0.318	-0.595	0.031
N3	-0.318	1.866	-0.110
N4	0.318	-1.866	-0.110
H5	1.414	0.639	0.032
H6	-1.414	-0.639	0.032
H7	-1.333	1.784	-0.065
H8	1.333	-1.784	-0.065
H9	-0.021	2.514	0.618
H10	0.021	-2.514	0.618

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3493	1.4288	2.4651	1.0963	2.1265	2.0370	2.5879	2.0358	3.1781
C2	1.3493		2.4651	1.4288	2.1265	1.0963	2.5879	2.0370	3.1781	2.0358
N3	1.4288	2.4651		3.7865	2.1275	2.7379	1.0188	4.0066	1.0187	4.4536
N4	2.4651	1.4288	3.7865		2.7379	2.1275	4.0066	1.0188	4.4536	1.0187
H5	1.0963	2.1265	2.1275	2.7379		3.1028	2.9772	2.4263	2.4328	3.4966
H6	2.1265	1.0963	2.7379	2.1275	3.1028		2.4263	2.9772	3.4966	2.4328
H7	2.0370	2.5879	1.0188	4.0066	2.9772	2.4263		4.4538	1.6494	4.5579
H8	2.5879	2.0370	4.0066	1.0188	2.4263	2.9772	4.4538		4.5579	1.6494
H9	2.0358	3.1781	1.0187	4.4536	2.4328	3.4966	1.6494	4.5579		5.0288
H10	3.1781	2.0358	4.4536	1.0187	3.4966	2.4328	4.5579	1.6494	5.0288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.060	C1	C2	H6	120.457
C1	N3	H7	111.558	C1	N3	H9	111.461
C2	C1	N3	125.060	C2	C1	H5	120.457
C2	N4	H8	111.558	C2	N4	H10	111.461
N3	C1	H5	114.170	N4	C2	H6	114.170
H7	N3	H9	108.092	H8	N4	H10	108.092

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)