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	hartrees
Energy at 0K	-190.341783
Energy at 298.15K	-190.351839
Nuclear repulsion energy	130.992609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3390	3366	0.00
2	A_g	2935	2915	0.00
3	A_g	1609	1598	0.00
4	A_g	1426	1416	0.00
5	A_g	1336	1327	0.00
6	A_g	1087	1079	0.00
7	A_g	1019	1012	0.00
8	A_g	809	803	0.00
9	A_g	441	438	0.00
10	A_u	3467	3443	0.16
11	A_u	2991	2970	66.61
12	A_u	1350	1341	1.98
13	A_u	1043	1036	0.12
14	A_u	734	729	1.01
15	A_u	251	249	88.86
16	A_u	141	140	0.04
17	B_g	3468	3444	0.00
18	B_g	2961	2941	0.00
19	B_g	1328	1319	0.00
20	B_g	1258	1249	0.00
21	B_g	914	907	0.00
22	B_g	286	284	0.00
23	B_u	3389	3365	5.28
24	B_u	2945	2924	90.41
25	B_u	1608	1597	38.09
26	B_u	1445	1435	0.79
27	B_u	1278	1270	17.58
28	B_u	1058	1051	11.25
29	B_u	844	838	374.42
30	B_u	254	252	17.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.396	0.661	0.000
C2	-0.396	-0.661	0.000
N3	-0.396	1.894	0.000
N4	0.396	-1.894	0.000
H5	1.013	-1.907	0.815
H6	1.013	-1.907	-0.815
H7	-1.013	1.907	0.815
H8	-1.013	1.907	-0.815
H9	-1.060	-0.679	0.881
H10	-1.060	-0.679	-0.881
H11	1.060	0.679	0.881
H12	1.060	0.679	-0.881

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5404	1.4658	2.5544	2.7634	2.7634	2.0504	2.0504	2.1660	2.1660	1.1038	1.1038
C2	1.5404		2.5544	1.4658	2.0504	2.0504	2.7634	2.7634	1.1038	1.1038	2.1660	2.1660
N3	1.4658	2.5544		3.8697	4.1347	4.1347	1.0227	1.0227	2.7992	2.7992	2.0916	2.0916
N4	2.5544	1.4658	3.8697		1.0227	1.0227	4.1347	4.1347	2.0916	2.0916	2.7992	2.7992
H5	2.7634	2.0504	4.1347	1.0227		1.6310	4.3184	4.6161	2.4109	2.9474	2.5866	3.0928
H6	2.7634	2.0504	4.1347	1.0227	1.6310		4.6161	4.3184	2.9474	2.4109	3.0928	2.5866
H7	2.0504	2.7634	1.0227	4.1347	4.3184	4.6161		1.6310	2.5866	3.0928	2.4109	2.9474
H8	2.0504	2.7634	1.0227	4.1347	4.6161	4.3184	1.6310		3.0928	2.5866	2.9474	2.4109
H9	2.1660	1.1038	2.7992	2.0916	2.4109	2.9474	2.5866	3.0928		1.7626	2.5179	3.0735
H10	2.1660	1.1038	2.7992	2.0916	2.9474	2.4109	3.0928	2.5866	1.7626		3.0735	2.5179
H11	1.1038	2.1660	2.0916	2.7992	2.5866	3.0928	2.4109	2.9474	2.5179	3.0735		1.7626
H12	1.1038	2.1660	2.0916	2.7992	3.0928	2.5866	2.9474	2.4109	3.0735	2.5179	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.339	C1	C2	H9	108.879
C1	C2	H10	108.879	C1	N3	H7	109.673
C1	N3	H8	109.673	C2	C1	N3	116.339
C2	C1	H11	108.879	C2	C1	H12	108.879
C2	N4	H5	109.673	C2	N4	H6	109.673
N3	C1	H11	108.148	N3	C1	H12	108.148
N4	C2	H9	108.148	N4	C2	H10	108.148
H5	N4	H6	105.757	H7	N3	H8	105.757
H9	C2	H10	105.961	H11	C1	H12	105.961

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.105
2	C	-0.105
3	N	-0.285
4	N	-0.285
5	H	0.121
6	H	0.121
7	H	0.121
8	H	0.121
9	H	0.075
10	H	0.075
11	H	0.075
12	H	0.075

	x	y	z
x	6.590	-0.539	0.000
y	-0.539	7.307	0.000
z	0.000	0.000	6.143

<r²>	107.699
(<r²>)^1/2	10.378

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)