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	hartrees
Energy at 0K	-189.356942
Energy at 298.15K	-189.367338
HF Energy	-189.356942
Nuclear repulsion energy	132.666948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3725	3377	0.00
2	A_g	3154	2858	0.00
3	A_g	1795	1627	0.00
4	A_g	1609	1458	0.00
5	A_g	1536	1392	0.00
6	A_g	1186	1075	0.00
7	A_g	1139	1032	0.00
8	A_g	887	804	0.00
9	A_g	492	446	0.00
10	A_u	3803	3447	3.25
11	A_u	3203	2903	101.95
12	A_u	1504	1363	0.25
13	A_u	1145	1038	0.32
14	A_u	812	736	0.19
15	A_u	265	240	101.67
16	A_u	155	141	0.31
17	B_g	3803	3447	0.00
18	B_g	3170	2874	0.00
19	B_g	1480	1342	0.00
20	B_g	1405	1274	0.00
21	B_g	1010	915	0.00
22	B_g	293	265	0.00
23	B_u	3725	3376	1.38
24	B_u	3159	2863	110.95
25	B_u	1794	1626	55.70
26	B_u	1624	1472	1.13
27	B_u	1446	1311	27.16
28	B_u	1152	1044	38.45
29	B_u	925	839	404.17
30	B_u	302	274	18.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.652	0.000
C2	-0.399	-0.652	0.000
N3	-0.399	1.866	0.000
N4	0.399	-1.866	0.000
H5	0.990	-1.913	0.804
H6	0.990	-1.913	-0.804
H7	-0.990	1.913	0.804
H8	-0.990	1.913	-0.804
H9	-1.049	-0.674	-0.869
H10	-1.049	-0.674	0.869
H11	1.049	0.674	-0.869
H12	1.049	0.674	0.869

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5290	1.4523	2.5183	2.7524	2.7524	2.0404	2.0404	2.1468	2.1468	1.0855	1.0855
C2	1.5290		2.5183	1.4523	2.0404	2.0404	2.7524	2.7524	1.0855	1.0855	2.1468	2.1468
N3	1.4523	2.5183		3.8163	4.1055	4.1055	0.9986	0.9986	2.7618	2.7618	2.0670	2.0670
N4	2.5183	1.4523	3.8163		0.9986	0.9986	4.1055	4.1055	2.0670	2.0670	2.7618	2.7618
H5	2.7524	2.0404	4.1055	0.9986		1.6073	4.3078	4.5979	2.9137	2.3866	3.0810	2.5882
H6	2.7524	2.0404	4.1055	0.9986	1.6073		4.5979	4.3078	2.3866	2.9137	2.5882	3.0810
H7	2.0404	2.7524	0.9986	4.1055	4.3078	4.5979		1.6073	3.0810	2.5882	2.9137	2.3866
H8	2.0404	2.7524	0.9986	4.1055	4.5979	4.3078	1.6073		2.5882	3.0810	2.3866	2.9137
H9	2.1468	1.0855	2.7618	2.0670	2.9137	2.3866	3.0810	2.5882		1.7381	2.4931	3.0391
H10	2.1468	1.0855	2.7618	2.0670	2.3866	2.9137	2.5882	3.0810	1.7381		3.0391	2.4931
H11	1.0855	2.1468	2.0670	2.7618	3.0810	2.5882	2.9137	2.3866	2.4931	3.0391		1.7381
H12	1.0855	2.1468	2.0670	2.7618	2.5882	3.0810	2.3866	2.9137	3.0391	2.4931	1.7381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.249	C1	C2	H9	109.219
C1	C2	H10	109.219	C1	N3	H7	111.366
C1	N3	H8	111.366	C2	C1	N3	115.249
C2	C1	H11	109.219	C2	C1	H12	109.219
C2	N4	H5	111.366	C2	N4	H6	111.366
N3	C1	H11	108.205	N3	C1	H12	108.205
N4	C2	H9	108.205	N4	C2	H10	108.205
H5	N4	H6	107.179	H7	N3	H8	107.179
H9	C2	H10	106.376	H11	C1	H12	106.376

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.093
2	C	0.093
3	N	-0.396
4	N	-0.396
5	H	0.128
6	H	0.128
7	H	0.128
8	H	0.128
9	H	0.024
10	H	0.024
11	H	0.024
12	H	0.024

	x	y	z
x	5.828	-0.462	0.000
y	-0.462	6.442	0.000
z	0.000	0.000	5.572

<r²>	105.624
(<r²>)^1/2	10.277

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)