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	hartrees
Energy at 0K	-190.455168
Energy at 298.15K	-190.465076
Nuclear repulsion energy	130.667859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3546	3411	0.00
2	A_g	3023	2908	0.00
3	A_g	1709	1644	0.00
4	A_g	1521	1463	0.00
5	A_g	1418	1364	0.00
6	A_g	1119	1076	0.00
7	A_g	1023	984	0.00
8	A_g	576	554	0.00
9	A_g	462	445	0.00
10	A_u	3662	3523	0.51
11	A_u	3087	2970	90.52
12	A_u	1392	1340	0.16
13	A_u	1070	1030	0.58
14	A_u	766	737	1.71
15	A_u	253	243	115.70
16	A_u	146	140	0.01
17	B_g	3662	3523	0.00
18	B_g	3057	2941	0.00
19	B_g	1381	1329	0.00
20	B_g	1309	1259	0.00
21	B_g	939	903	0.00
22	B_g	283	272	0.00
23	B_u	3546	3411	0.48
24	B_u	3032	2916	109.65
25	B_u	1710	1645	56.26
26	B_u	1539	1480	1.30
27	B_u	1363	1311	9.60
28	B_u	1101	1059	40.53
29	B_u	583	561	687.85
30	B_u	271	260	29.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	0.663	0.000
C2	-0.401	-0.663	0.000
N3	-0.401	1.885	0.000
N4	0.401	-1.885	0.000
H5	0.938	-2.056	0.842
H6	0.938	-2.056	-0.842
H7	-0.938	2.056	0.842
H8	-0.938	2.056	-0.842
H9	-1.060	-0.680	-0.879
H10	-1.060	-0.680	0.879
H11	1.060	0.680	-0.879
H12	1.060	0.680	0.879

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5504	1.4619	2.5483	2.8967	2.8967	2.1074	2.1074	2.1713	2.1713	1.0989	1.0989
C2	1.5504		2.5483	1.4619	2.1074	2.1074	2.8967	2.8967	1.0989	1.0989	2.1713	2.1713
N3	1.4619	2.5483		3.8547	4.2466	4.2466	1.0125	1.0125	2.7907	2.7907	2.0884	2.0884
N4	2.5483	1.4619	3.8547		1.0125	1.0125	4.2466	4.2466	2.0884	2.0884	2.7907	2.7907
H5	2.8967	2.1074	4.2466	1.0125		1.6834	4.5195	4.8229	2.9743	2.4263	3.2347	2.7393
H6	2.8967	2.1074	4.2466	1.0125	1.6834		4.8229	4.5195	2.4263	2.9743	2.7393	3.2347
H7	2.1074	2.8967	1.0125	4.2466	4.5195	4.8229		1.6834	3.2347	2.7393	2.9743	2.4263
H8	2.1074	2.8967	1.0125	4.2466	4.8229	4.5195	1.6834		2.7393	3.2347	2.4263	2.9743
H9	2.1713	1.0989	2.7907	2.0884	2.9743	2.4263	3.2347	2.7393		1.7583	2.5197	3.0725
H10	2.1713	1.0989	2.7907	2.0884	2.4263	2.9743	2.7393	3.2347	1.7583		3.0725	2.5197
H11	1.0989	2.1713	2.0884	2.7907	3.2347	2.7393	2.9743	2.4263	2.5197	3.0725		1.7583
H12	1.0989	2.1713	2.0884	2.7907	2.7393	3.2347	2.4263	2.9743	3.0725	2.5197	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.522	C1	C2	H9	108.886
C1	C2	H10	108.886	C1	N3	H7	115.591
C1	N3	H8	115.591	C2	C1	N3	115.522
C2	C1	H11	108.886	C2	C1	H12	108.886
C2	N4	H5	115.591	C2	N4	H6	115.591
N3	C1	H11	108.448	N3	C1	H12	108.448
N4	C2	H9	108.448	N4	C2	H10	108.448
H5	N4	H6	112.458	H7	N3	H8	112.458
H9	C2	H10	106.258	H11	C1	H12	106.258

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.115
2	C	-0.115
3	N	-0.695
4	N	-0.695
5	H	0.278
6	H	0.278
7	H	0.278
8	H	0.278
9	H	0.127
10	H	0.127
11	H	0.127
12	H	0.127

	x	y	z
x	4.837	-0.861	0.000
y	-0.861	5.511	0.000
z	0.000	0.000	5.200

<r²>	108.711
(<r²>)^1/2	10.426

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)