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	hartrees
Energy at 0K	-189.975782
Energy at 298.15K	-189.969137
HF Energy	-189.305944
Nuclear repulsion energy	131.010633

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	0.656	0.000
C2	-0.401	-0.656	0.000
N3	-0.401	1.888	0.000
N4	0.401	-1.888	0.000
H5	1.015	-1.905	0.816
H6	1.015	-1.905	-0.816
H7	-1.015	1.905	0.816
H8	-1.015	1.905	-0.816
H9	-1.060	-0.679	-0.886
H10	-1.060	-0.679	0.886
H11	1.060	0.679	-0.886
H12	1.060	0.679	0.886

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5378	1.4699	2.5443	2.7574	2.7574	2.0570	2.0570	2.1684	2.1684	1.1042	1.1042
C2	1.5378		2.5443	1.4699	2.0570	2.0570	2.7574	2.7574	1.1042	1.1042	2.1684	2.1684
N3	1.4699	2.5443		3.8605	4.1304	4.1304	1.0215	1.0215	2.7946	2.7946	2.0929	2.0929
N4	2.5443	1.4699	3.8605		1.0215	1.0215	4.1304	4.1304	2.0929	2.0929	2.7946	2.7946
H5	2.7574	2.0570	4.1304	1.0215		1.6315	4.3177	4.6156	2.9505	2.4116	3.0944	2.5856
H6	2.7574	2.0570	4.1304	1.0215	1.6315		4.6156	4.3177	2.4116	2.9505	2.5856	3.0944
H7	2.0570	2.7574	1.0215	4.1304	4.3177	4.6156		1.6315	3.0944	2.5856	2.9505	2.4116
H8	2.0570	2.7574	1.0215	4.1304	4.6156	4.3177	1.6315		2.5856	3.0944	2.4116	2.9505
H9	2.1684	1.1042	2.7946	2.0929	2.9505	2.4116	3.0944	2.5856		1.7711	2.5181	3.0786
H10	2.1684	1.1042	2.7946	2.0929	2.4116	2.9505	2.5856	3.0944	1.7711		3.0786	2.5181
H11	1.1042	2.1684	2.0929	2.7946	3.0944	2.5856	2.9505	2.4116	2.5181	3.0786		1.7711
H12	1.1042	2.1684	2.0929	2.7946	2.5856	3.0944	2.4116	2.9505	3.0786	2.5181	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.521	C1	C2	H9	109.213
C1	C2	H10	109.213	C1	N3	H7	110.003
C1	N3	H8	110.003	C2	C1	N3	115.521
C2	C1	H11	109.213	C2	C1	H12	109.213
C2	N4	H5	110.003	C2	N4	H6	110.003
N3	C1	H11	107.947	N3	C1	H12	107.947
N4	C2	H9	107.947	N4	C2	H10	107.947
H5	N4	H6	105.995	H7	N3	H8	105.995
H9	C2	H10	106.634	H11	C1	H12	106.634

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP2/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 C2H8N2 (Ethylenediamine)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)