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	hartrees
Energy at 0K	-189.459909
Energy at 298.15K	-189.469964
Nuclear repulsion energy	130.203443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3396	3267	0.00
2	A_g	3032	2917	0.00
3	A_g	1723	1657	0.00
4	A_g	1531	1473	0.00
5	A_g	1402	1348	0.00
6	A_g	1092	1051	0.00
7	A_g	986	949	0.00
8	A_g	688	662	0.00
9	A_g	451	433	0.00
10	A_u	3492	3359	2.77
11	A_u	3093	2976	66.54
12	A_u	1408	1355	3.51
13	A_u	1097	1055	0.12
14	A_u	760	731	1.45
15	A_u	277	266	133.11
16	A_u	149	143	0.41
17	B_g	3492	3359	0.00
18	B_g	3063	2946	0.00
19	B_g	1393	1340	0.00
20	B_g	1323	1273	0.00
21	B_g	947	911	0.00
22	B_g	305	293	0.00
23	B_u	3396	3267	4.97
24	B_u	3041	2925	80.80
25	B_u	1723	1657	36.56
26	B_u	1550	1491	1.70
27	B_u	1348	1297	5.63
28	B_u	1065	1025	8.98
29	B_u	699	672	541.62
30	B_u	257	247	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)