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	hartrees
Energy at 0K	-190.031972
Energy at 298.15K	-190.025409
HF Energy	-189.297503
Nuclear repulsion energy	131.869969

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.766	0.000
C2	0.000	-0.766	0.000
N3	-1.318	1.398	0.000
N4	1.318	-1.398	0.000
H5	1.841	-1.074	0.807
H6	1.841	-1.074	-0.807
H7	-1.841	1.074	0.807
H8	-1.841	1.074	-0.807
H9	-0.550	-1.123	0.877
H10	-0.550	-1.123	-0.877
H11	0.550	1.123	0.877
H12	0.550	1.123	-0.877

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5320	1.4614	2.5334	2.7252	2.7252	2.0337	2.0337	2.1538	2.1538	1.0949	1.0949
C2	1.5320		2.5334	1.4614	2.0337	2.0337	2.7252	2.7252	1.0949	1.0949	2.1538	2.1538
N3	1.4614	2.5334		3.8420	4.0914	4.0914	1.0149	1.0149	2.7767	2.7767	2.0820	2.0820
N4	2.5334	1.4614	3.8420		1.0149	1.0149	4.0914	4.0914	2.0820	2.0820	2.7767	2.7767
H5	2.7252	2.0337	4.0914	1.0149		1.6145	4.2628	4.5583	2.3929	2.9252	2.5489	3.0541
H6	2.7252	2.0337	4.0914	1.0149	1.6145		4.5583	4.2628	2.9252	2.3929	3.0541	2.5489
H7	2.0337	2.7252	1.0149	4.0914	4.2628	4.5583		1.6145	2.5489	3.0541	2.3929	2.9252
H8	2.0337	2.7252	1.0149	4.0914	4.5583	4.2628	1.6145		3.0541	2.5489	2.9252	2.3929
H9	2.1538	1.0949	2.7767	2.0820	2.3929	2.9252	2.5489	3.0541		1.7532	2.5009	3.0543
H10	2.1538	1.0949	2.7767	2.0820	2.9252	2.3929	3.0541	2.5489	1.7532		3.0543	2.5009
H11	1.0949	2.1538	2.0820	2.7767	2.5489	3.0541	2.3929	2.9252	2.5009	3.0543		1.7532
H12	1.0949	2.1538	2.0820	2.7767	3.0541	2.5489	2.9252	2.3929	3.0543	2.5009	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.610	C1	C2	H9	109.018
C1	C2	H10	109.018	C1	N3	H7	109.088
C1	N3	H8	109.088	C2	C1	N3	115.610
C2	C1	H11	109.018	C2	C1	H12	109.018
C2	N4	H5	109.088	C2	N4	H6	109.088
N3	C1	H11	108.211	N3	C1	H12	108.211
N4	C2	H9	108.211	N4	C2	H10	108.211
H5	N4	H6	105.390	H7	N3	H8	105.390
H9	C2	H10	106.383	H11	C1	H12	106.383

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)