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	hartrees
Energy at 0K	-189.907980
Energy at 298.15K	-189.918323
HF Energy	-189.265068
Nuclear repulsion energy	131.609584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3518	3301	0.00
2	A_g	3085	2895	0.00
3	A_g	1738	1631	0.00
4	A_g	1548	1453	0.00
5	A_g	1457	1367	0.00
6	A_g	1167	1095	0.00
7	A_g	1120	1051	0.00
8	A_g	904	848	0.00
9	A_g	475	445	0.00
10	A_u	3605	3382	0.11
11	A_u	3146	2952	67.74
12	A_u	1441	1352	2.13
13	A_u	1105	1037	0.45
14	A_u	776	728	0.29
15	A_u	284	266	130.64
16	A_u	155	146	0.13
17	B_g	3605	3383	0.00
18	B_g	3121	2928	0.00
19	B_g	1415	1328	0.00
20	B_g	1349	1266	0.00
21	B_g	975	915	0.00
22	B_g	317	298	0.00
23	B_u	3518	3301	0.89
24	B_u	3091	2901	76.36
25	B_u	1736	1629	55.94
26	B_u	1565	1468	1.15
27	B_u	1371	1286	26.60
28	B_u	1133	1063	6.36
29	B_u	950	891	422.00
30	B_u	283	266	21.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.656	0.000
C2	-0.399	-0.656	0.000
N3	-0.399	1.882	0.000
N4	0.399	-1.882	0.000
H5	1.005	-1.904	0.816
H6	1.005	-1.904	-0.816
H7	-1.005	1.904	0.816
H8	-1.005	1.904	-0.816
H9	-1.056	-0.677	-0.879
H10	-1.056	-0.677	0.879
H11	1.056	0.677	-0.879
H12	1.056	0.677	0.879

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5358	1.4620	2.5382	2.7554	2.7554	2.0481	2.0481	2.1596	2.1596	1.0973	1.0973
C2	1.5358		2.5382	1.4620	2.0481	2.0481	2.7554	2.7554	1.0973	1.0973	2.1596	2.1596
N3	1.4620	2.5382		3.8473	4.1199	4.1199	1.0172	1.0172	2.7839	2.7839	2.0831	2.0831
N4	2.5382	1.4620	3.8473		1.0172	1.0172	4.1199	4.1199	2.0831	2.0831	2.7839	2.7839
H5	2.7554	2.0481	4.1199	1.0172		1.6327	4.3068	4.6059	2.9372	2.3996	3.0883	2.5824
H6	2.7554	2.0481	4.1199	1.0172	1.6327		4.6059	4.3068	2.3996	2.9372	2.5824	3.0883
H7	2.0481	2.7554	1.0172	4.1199	4.3068	4.6059		1.6327	3.0883	2.5824	2.9372	2.3996
H8	2.0481	2.7554	1.0172	4.1199	4.6059	4.3068	1.6327		2.5824	3.0883	2.3996	2.9372
H9	2.1596	1.0973	2.7839	2.0831	2.9372	2.3996	3.0883	2.5824		1.7572	2.5080	3.0623
H10	2.1596	1.0973	2.7839	2.0831	2.3996	2.9372	2.5824	3.0883	1.7572		3.0623	2.5080
H11	1.0973	2.1596	2.0831	2.7839	3.0883	2.5824	2.9372	2.3996	2.5080	3.0623		1.7572
H12	1.0973	2.1596	2.0831	2.7839	2.5824	3.0883	2.3996	2.9372	3.0623	2.5080	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.687	C1	C2	H9	109.069
C1	C2	H10	109.069	C1	N3	H7	110.101
C1	N3	H8	110.101	C2	C1	N3	115.687
C2	C1	H11	109.069	C2	C1	H12	109.069
C2	N4	H5	110.101	C2	N4	H6	110.101
N3	C1	H11	108.118	N3	C1	H12	108.118
N4	C2	H9	108.118	N4	C2	H10	108.118
H5	N4	H6	106.747	H7	N3	H8	106.747
H9	C2	H10	106.384	H11	C1	H12	106.384

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)