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	hartrees
Energy at 0K	-188.015109
Energy at 298.15K	-188.025113
Nuclear repulsion energy	128.883207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3509	3098	0.00
2	A_g	3341	2950	0.00
3	A_g	1864	1646	0.00
4	A_g	1644	1451	0.00
5	A_g	1508	1332	0.00
6	A_g	1249	1103	0.00
7	A_g	1099	970	0.00
8	A_g	945	834	0.00
9	A_g	451	399	0.00
10	A_u	3694	3261	23.97
11	A_u	3465	3060	3.07
12	A_u	1520	1342	3.99
13	A_u	1173	1036	2.75
14	A_u	804	710	2.75
15	A_u	299	264	118.80
16	A_u	113	100	0.04
17	B_g	3694	3261	0.00
18	B_g	3450	3046	0.00
19	B_g	1503	1327	0.00
20	B_g	1409	1244	0.00
21	B_g	997	880	0.00
22	B_g	335	295	0.00
23	B_u	3507	3097	25.05
24	B_u	3349	2957	9.33
25	B_u	1863	1645	12.30
26	B_u	1662	1467	1.49
27	B_u	1417	1251	22.67
28	B_u	1204	1063	24.41
29	B_u	1000	883	163.82
30	B_u	268	237	18.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.409	0.669	0.000
C2	-0.409	-0.669	0.000
N3	-0.409	1.933	0.000
N4	0.409	-1.933	0.000
H5	1.069	-1.826	0.822
H6	1.069	-1.826	-0.822
H7	-1.069	1.826	0.822
H8	-1.069	1.826	-0.822
H9	-1.061	-0.693	-0.891
H10	-1.061	-0.693	0.891
H11	1.061	0.693	-0.891
H12	1.061	0.693	0.891

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5678	1.5061	2.6011	2.7075	2.7075	2.0491	2.0491	2.1932	2.1932	1.1043	1.1043
C2	1.5678		2.6011	1.5061	2.0491	2.0491	2.7075	2.7075	1.1043	1.1043	2.1932	2.1932
N3	1.5061	2.6011		3.9510	4.1212	4.1212	1.0589	1.0589	2.8481	2.8481	2.1200	2.1200
N4	2.6011	1.5061	3.9510		1.0589	1.0589	4.1212	4.1212	2.1200	2.1200	2.8481	2.8481
H5	2.7075	2.0491	4.1212	1.0589		1.6436	4.2307	4.5387	2.9586	2.4134	3.0457	2.5194
H6	2.7075	2.0491	4.1212	1.0589	1.6436		4.5387	4.2307	2.4134	2.9586	2.5194	3.0457
H7	2.0491	2.7075	1.0589	4.1212	4.2307	4.5387		1.6436	3.0457	2.5194	2.9586	2.4134
H8	2.0491	2.7075	1.0589	4.1212	4.5387	4.2307	1.6436		2.5194	3.0457	2.4134	2.9586
H9	2.1932	1.1043	2.8481	2.1200	2.9586	2.4134	3.0457	2.5194		1.7821	2.5348	3.0986
H10	2.1932	1.1043	2.8481	2.1200	2.4134	2.9586	2.5194	3.0457	1.7821		3.0986	2.5348
H11	1.1043	2.1932	2.1200	2.8481	3.0457	2.5194	2.9586	2.4134	2.5348	3.0986		1.7821
H12	1.1043	2.1932	2.1200	2.8481	2.5194	3.0457	2.4134	2.9586	3.0986	2.5348	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.583	C1	C2	H9	109.088
C1	C2	H10	109.088	C1	N3	H7	104.691
C1	N3	H8	104.691	C2	C1	N3	115.583
C2	C1	H11	109.088	C2	C1	H12	109.088
C2	N4	H5	104.691	C2	N4	H6	104.691
N3	C1	H11	107.607	N3	C1	H12	107.607
N4	C2	H9	107.607	N4	C2	H10	107.607
H5	N4	H6	101.807	H7	N3	H8	101.807
H9	C2	H10	107.583	H11	C1	H12	107.583

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B1B95/STO-3G

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	-0.087
2	C	-0.087
3	N	-0.369
4	N	-0.369
5	H	0.152
6	H	0.152
7	H	0.152
8	H	0.152
9	H	0.075
10	H	0.075
11	H	0.075
12	H	0.075

	x	y	z
x	2.952	-0.725	0.000
y	-0.725	2.934	0.000
z	0.000	0.000	3.092

<r²>	108.724
(<r²>)^1/2	10.427

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)