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	hartrees
Energy at 0K	-188.076186
Energy at 298.15K	-188.086237
Nuclear repulsion energy	128.939417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3545	3116	0.00
2	A_g	3363	2956	0.00
3	A_g	1881	1653	0.00
4	A_g	1659	1458	0.00
5	A_g	1527	1342	0.00
6	A_g	1262	1109	0.00
7	A_g	1114	979	0.00
8	A_g	960	844	0.00
9	A_g	458	403	0.00
10	A_u	3730	3278	23.01
11	A_u	3488	3066	3.09
12	A_u	1536	1350	3.83
13	A_u	1186	1042	2.72
14	A_u	812	714	2.65
15	A_u	300	264	119.29
16	A_u	115	101	0.10
17	B_g	3730	3278	0.00
18	B_g	3473	3052	0.00
19	B_g	1518	1334	0.00
20	B_g	1424	1252	0.00
21	B_g	1008	886	0.00
22	B_g	335	294	0.00
23	B_u	3544	3114	23.92
24	B_u	3371	2963	9.40
25	B_u	1880	1652	12.53
26	B_u	1677	1474	1.42
27	B_u	1434	1260	23.46
28	B_u	1216	1069	25.45
29	B_u	1018	895	163.39
30	B_u	276	242	17.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.410	0.668	0.000
C2	-0.410	-0.668	0.000
N3	-0.410	1.931	0.000
N4	0.410	-1.931	0.000
H5	1.068	-1.826	0.821
H6	1.068	-1.826	-0.821
H7	-1.068	1.826	0.821
H8	-1.068	1.826	-0.821
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		1.5679	1.5056	2.5996	2.7070	2.7070	2.0487	2.0487	2.1931	2.1931	1.1039	1.1039
C2	1.5679		2.5996	1.5056	2.0487	2.0487	2.7070	2.7070	1.1039	1.1039	2.1931	2.1931
N3	1.5056	2.5996		3.9486	4.1199	4.1199	1.0574	1.0574	2.8465	2.8465	2.1195	2.1195
N4	2.5996	1.5056	3.9486		1.0574	1.0574	4.1199	4.1199	2.1195	2.1195	2.8465	2.8465
H5	2.7070	2.0487	4.1199	1.0574		1.6423	4.2302	4.5378	2.9576	2.4128	3.0452	2.5194
H6	2.7070	2.0487	4.1199	1.0574	1.6423		4.5378	4.2302	2.4128	2.9576	2.5194	3.0452
H7	2.0487	2.7070	1.0574	4.1199	4.2302	4.5378		1.6423	3.0452	2.5194	2.9576	2.4128
H8	2.0487	2.7070	1.0574	4.1199	4.5378	4.2302	1.6423		2.5194	3.0452	2.4128	2.9576
H9	2.1931	1.1039	2.8465	2.1195	2.9576	2.4128	3.0452	2.5194		1.7816	2.5346	3.0981
H10	2.1931	1.1039	2.8465	2.1195	2.4128	2.9576	2.5194	3.0452	1.7816		3.0981	2.5346
H11	1.1039	2.1931	2.1195	2.8465	3.0452	2.5194	2.9576	2.4128	2.5346	3.0981		1.7816
H12	1.1039	2.1931	2.1195	2.8465	2.5194	3.0452	2.4128	2.9576	3.0981	2.5346	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.501	C1	C2	H9	109.101
C1	C2	H10	109.101	C1	N3	H7	104.774
C1	N3	H8	104.774	C2	C1	N3	115.501
C2	C1	H11	109.101	C2	C1	H12	109.101
C2	N4	H5	104.774	C2	N4	H6	104.774
N3	C1	H11	107.629	N3	C1	H12	107.629
N4	C2	H9	107.629	N4	C2	H10	107.629
H5	N4	H6	101.897	H7	N3	H8	101.897
H9	C2	H10	107.602	H11	C1	H12	107.602

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: mPW1PW91/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	-0.089
2	C	-0.089
3	N	-0.369
4	N	-0.369
5	H	0.153
6	H	0.153
7	H	0.153
8	H	0.153
9	H	0.076
10	H	0.076
11	H	0.076
12	H	0.076

	x	y	z
x	2.922	-0.713	0.000
y	-0.713	2.884	0.000
z	0.000	0.000	3.065

<r²>	108.644
(<r²>)^1/2	10.423

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)