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	hartrees
Energy at 0K	-189.892223
Energy at 298.15K	-189.902564
HF Energy	-189.264970
Nuclear repulsion energy	131.507993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3516	3300	0.00
2	A_g	3084	2895	0.00
3	A_g	1737	1631	0.00
4	A_g	1548	1453	0.00
5	A_g	1455	1366	0.00
6	A_g	1166	1095	0.00
7	A_g	1118	1050	0.00
8	A_g	904	849	0.00
9	A_g	474	445	0.00
10	A_u	3603	3381	0.14
11	A_u	3145	2952	68.05
12	A_u	1440	1352	2.13
13	A_u	1104	1036	0.45
14	A_u	776	728	0.28
15	A_u	285	267	130.48
16	A_u	155	145	0.12
17	B_g	3603	3382	0.00
18	B_g	3120	2928	0.00
19	B_g	1414	1327	0.00
20	B_g	1348	1265	0.00
21	B_g	974	914	0.00
22	B_g	318	298	0.00
23	B_u	3516	3300	0.95
24	B_u	3091	2901	76.43
25	B_u	1735	1629	55.59
26	B_u	1564	1468	1.10
27	B_u	1369	1285	27.26
28	B_u	1131	1062	6.22
29	B_u	951	892	419.94
30	B_u	283	266	21.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.655	0.000
C2	-0.399	-0.655	0.000
N3	-0.399	1.883	0.000
N4	0.399	-1.883	0.000
H5	1.013	-1.888	0.813
H6	1.013	-1.888	-0.813
H7	-1.013	1.888	0.813
H8	-1.013	1.888	-0.813
H9	-1.056	-0.678	0.879
H10	-1.056	-0.678	-0.879
H11	1.056	0.678	0.879
H12	1.056	0.678	-0.879

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5336	1.4649	2.5380	2.7396	2.7396	2.0435	2.0435	2.1601	2.1601	1.0977	1.0977
C2	1.5336		2.5380	1.4649	2.0435	2.0435	2.7396	2.7396	1.0977	1.0977	2.1601	2.1601
N3	1.4649	2.5380		3.8500	4.1084	4.1084	1.0187	1.0187	2.7861	2.7861	2.0843	2.0843
N4	2.5380	1.4649	3.8500		1.0187	1.0187	4.1084	4.1084	2.0843	2.0843	2.7861	2.7861
H5	2.7396	2.0435	4.1084	1.0187		1.6264	4.2855	4.5838	2.3982	2.9343	2.5672	3.0739
H6	2.7396	2.0435	4.1084	1.0187	1.6264		4.5838	4.2855	2.9343	2.3982	3.0739	2.5672
H7	2.0435	2.7396	1.0187	4.1084	4.2855	4.5838		1.6264	2.5672	3.0739	2.3982	2.9343
H8	2.0435	2.7396	1.0187	4.1084	4.5838	4.2855	1.6264		3.0739	2.5672	2.9343	2.3982
H9	2.1601	1.0977	2.7861	2.0843	2.3982	2.9343	2.5672	3.0739		1.7575	2.5102	3.0643
H10	2.1601	1.0977	2.7861	2.0843	2.9343	2.3982	3.0739	2.5672	1.7575		3.0643	2.5102
H11	1.0977	2.1601	2.0843	2.7861	2.5672	3.0739	2.3982	2.9343	2.5102	3.0643		1.7575
H12	1.0977	2.1601	2.0843	2.7861	3.0739	2.5672	2.9343	2.3982	3.0643	2.5102	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.628	C1	C2	H9	109.233
C1	C2	H10	109.233	C1	N3	H7	109.415
C1	N3	H8	109.415	C2	C1	N3	115.628
C2	C1	H11	109.233	C2	C1	H12	109.233
C2	N4	H5	109.415	C2	N4	H6	109.415
N3	C1	H11	107.991	N3	C1	H12	107.991
N4	C2	H9	107.991	N4	C2	H10	107.991
H5	N4	H6	105.927	H7	N3	H8	105.927
H9	C2	H10	106.365	H11	C1	H12	106.365

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)