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	hartrees
Energy at 0K	-189.415171
Energy at 298.15K	-189.425263
Nuclear repulsion energy	130.766565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3462	3305	0.00
2	A_g	3057	2918	0.00
3	A_g	1731	1652	0.00
4	A_g	1533	1463	0.00
5	A_g	1407	1343	0.00
6	A_g	1114	1063	0.00
7	A_g	1016	970	0.00
8	A_g	679	648	0.00
9	A_g	459	438	0.00
10	A_u	3564	3402	0.03
11	A_u	3125	2983	60.60
12	A_u	1414	1350	2.92
13	A_u	1100	1050	0.01
14	A_u	760	725	2.26
15	A_u	280	267	138.97
16	A_u	153	146	0.52
17	B_g	3564	3402	0.00
18	B_g	3094	2953	0.00
19	B_g	1398	1334	0.00
20	B_g	1326	1266	0.00
21	B_g	949	906	0.00
22	B_g	306	292	0.00
23	B_u	3461	3304	1.20
24	B_u	3067	2927	77.42
25	B_u	1731	1652	45.63
26	B_u	1550	1479	3.50
27	B_u	1351	1289	2.98
28	B_u	1092	1042	10.64
29	B_u	688	657	586.99
30	B_u	257	246	21.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	0.658	0.000
C2	-0.405	-0.658	0.000
N3	-0.405	1.886	0.000
N4	0.405	-1.886	0.000
H5	0.984	-1.968	0.836
H6	0.984	-1.968	-0.836
H7	-0.984	1.968	0.836
H8	-0.984	1.968	-0.836
H9	-1.057	-0.676	-0.882
H10	-1.057	-0.676	0.882
H11	1.057	0.676	-0.882
H12	1.057	0.676	0.882

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5459	1.4708	2.5444	2.8164	2.8164	2.0842	2.0842	2.1665	2.1665	1.0969	1.0969
C2	1.5459		2.5444	1.4708	2.0842	2.0842	2.8164	2.8164	1.0969	1.0969	2.1665	2.1665
N3	1.4708	2.5444		3.8580	4.1811	4.1811	1.0206	1.0206	2.7865	2.7865	2.0927	2.0927
N4	2.5444	1.4708	3.8580		1.0206	1.0206	4.1811	4.1811	2.0927	2.0927	2.7865	2.7865
H5	2.8164	2.0842	4.1811	1.0206		1.6727	4.4004	4.7076	2.9644	2.4159	3.1538	2.6448
H6	2.8164	2.0842	4.1811	1.0206	1.6727		4.7076	4.4004	2.4159	2.9644	2.6448	3.1538
H7	2.0842	2.8164	1.0206	4.1811	4.4004	4.7076		1.6727	3.1538	2.6448	2.9644	2.4159
H8	2.0842	2.8164	1.0206	4.1811	4.7076	4.4004	1.6727		2.6448	3.1538	2.4159	2.9644
H9	2.1665	1.0969	2.7865	2.0927	2.9644	2.4159	3.1538	2.6448		1.7644	2.5082	3.0666
H10	2.1665	1.0969	2.7865	2.0927	2.4159	2.9644	2.6448	3.1538	1.7644		3.0666	2.5082
H11	1.0969	2.1665	2.0927	2.7865	3.1538	2.6448	2.9644	2.4159	2.5082	3.0666		1.7644
H12	1.0969	2.1665	2.0927	2.7865	2.6448	3.1538	2.4159	2.9644	3.0666	2.5082	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	114.987	C1	C2	H9	108.942
C1	C2	H10	108.942	C1	N3	H7	112.299
C1	N3	H8	112.299	C2	C1	N3	114.987
C2	C1	H11	108.942	C2	C1	H12	108.942
C2	N4	H5	112.299	C2	N4	H6	112.299
N3	C1	H11	108.303	N3	C1	H12	108.303
N4	C2	H9	108.303	N4	C2	H10	108.303
H5	N4	H6	110.064	H7	N3	H8	110.064
H9	C2	H10	107.082	H11	C1	H12	107.082

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: mPW1PW91/3-21G

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	-0.294
2	C	-0.294
3	N	-0.698
4	N	-0.698
5	H	0.281
6	H	0.281
7	H	0.281
8	H	0.281
9	H	0.215
10	H	0.215
11	H	0.215
12	H	0.215

	x	y	z
x	4.601	-0.856	0.000
y	-0.856	4.970	0.000
z	0.000	0.000	4.908

<r²>	107.656
(<r²>)^1/2	10.376

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)