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	hartrees
Energy at 0K	-189.459909
Energy at 298.15K	-189.469977
Nuclear repulsion energy	130.203443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3396	3277	0.00
2	A_g	3032	2926	0.00
3	A_g	1723	1662	0.00
4	A_g	1531	1478	0.00
5	A_g	1402	1352	0.00
6	A_g	1092	1054	0.00
7	A_g	986	952	0.00
8	A_g	688	664	0.00
9	A_g	451	435	0.00
10	A_u	3492	3369	2.77
11	A_u	3093	2985	66.54
12	A_u	1408	1359	3.51
13	A_u	1097	1059	0.12
14	A_u	760	733	1.45
15	A_u	277	267	133.11
16	A_u	149	144	0.41
17	B_g	3492	3369	0.00
18	B_g	3063	2955	0.00
19	B_g	1393	1344	0.00
20	B_g	1323	1276	0.00
21	B_g	947	913	0.00
22	B_g	305	294	0.00
23	B_u	3396	3277	4.97
24	B_u	3041	2934	80.80
25	B_u	1723	1662	36.56
26	B_u	1550	1496	1.70
27	B_u	1348	1301	5.63
28	B_u	1065	1028	8.98
29	B_u	699	674	541.62
30	B_u	257	248	21.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	0.662	0.000
C2	-0.406	-0.662	0.000
N3	-0.406	1.898	0.000
N4	0.406	-1.898	0.000
H5	0.993	-1.969	0.837
H6	0.993	-1.969	-0.837
H7	-0.993	1.969	0.837
H8	-0.993	1.969	-0.837
H9	-1.057	-0.679	-0.883
H10	-1.057	-0.679	0.883
H11	1.057	0.679	-0.883
H12	1.057	0.679	0.883

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5538	1.4793	2.5603	2.8223	2.8223	2.0895	2.0895	2.1731	2.1731	1.0974	1.0974
C2	1.5538		2.5603	1.4793	2.0895	2.0895	2.8223	2.8223	1.0974	1.0974	2.1731	2.1731
N3	1.4793	2.5603		3.8823	4.1966	4.1966	1.0243	1.0243	2.8014	2.8014	2.0995	2.0995
N4	2.5603	1.4793	3.8823		1.0243	1.0243	4.1966	4.1966	2.0995	2.0995	2.8014	2.8014
H5	2.8223	2.0895	4.1966	1.0243		1.6730	4.4101	4.7168	2.9708	2.4227	3.1582	2.6492
H6	2.8223	2.0895	4.1966	1.0243	1.6730		4.7168	4.4101	2.4227	2.9708	2.6492	3.1582
H7	2.0895	2.8223	1.0243	4.1966	4.4101	4.7168		1.6730	3.1582	2.6492	2.9708	2.4227
H8	2.0895	2.8223	1.0243	4.1966	4.7168	4.4101	1.6730		2.6492	3.1582	2.4227	2.9708
H9	2.1731	1.0974	2.8014	2.0995	2.9708	2.4227	3.1582	2.6492		1.7670	2.5134	3.0723
H10	2.1731	1.0974	2.8014	2.0995	2.4227	2.9708	2.6492	3.1582	1.7670		3.0723	2.5134
H11	1.0974	2.1731	2.0995	2.8014	3.1582	2.6492	2.9708	2.4227	2.5134	3.0723		1.7670
H12	1.0974	2.1731	2.0995	2.8014	2.6492	3.1582	2.4227	2.9708	3.0723	2.5134	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.129	C1	C2	H9	108.882
C1	C2	H10	108.882	C1	N3	H7	111.861
C1	N3	H8	111.861	C2	C1	N3	115.129
C2	C1	H11	108.882	C2	C1	H12	108.882
C2	N4	H5	111.861	C2	N4	H6	111.861
N3	C1	H11	108.221	N3	C1	H12	108.221
N4	C2	H9	108.221	N4	C2	H10	108.221
H5	N4	H6	109.500	H7	N3	H8	109.500
H9	C2	H10	107.229	H11	C1	H12	107.229

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3LYP/3-21G

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	-0.244
2	C	-0.244
3	N	-0.653
4	N	-0.653
5	H	0.260
6	H	0.260
7	H	0.260
8	H	0.260
9	H	0.188
10	H	0.188
11	H	0.188
12	H	0.188

	x	y	z
x	4.675	-0.893	0.000
y	-0.893	5.067	0.000
z	0.000	0.000	4.984

<r²>	108.643
(<r²>)^1/2	10.423

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)