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	hartrees
Energy at 0K	-189.973002
Energy at 298.15K	-189.983374
HF Energy	-189.288231
Nuclear repulsion energy	131.160884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3495	3343	0.00
2	A_g	3049	2917	0.00
3	A_g	1676	1604	0.00
4	A_g	1488	1424	0.00
5	A_g	1426	1364	0.00
6	A_g	1160	1110	0.00
7	A_g	1113	1064	0.00
8	A_g	908	869	0.00
9	A_g	470	450	0.00
10	A_u	3576	3421	0.71
11	A_u	3112	2977	75.36
12	A_u	1417	1356	2.83
13	A_u	1089	1042	0.83
14	A_u	766	733	0.11
15	A_u	293	280	100.24
16	A_u	154	148	0.38
17	B_g	3577	3422	0.00
18	B_g	3087	2953	0.00
19	B_g	1392	1332	0.00
20	B_g	1314	1257	0.00
21	B_g	961	920	0.00
22	B_g	327	313	0.00
23	B_u	3495	3343	3.00
24	B_u	3053	2921	88.63
25	B_u	1674	1602	34.93
26	B_u	1504	1439	0.33
27	B_u	1341	1283	38.19
28	B_u	1125	1076	6.46
29	B_u	960	919	317.64
30	B_u	279	267	17.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.658	0.000
C2	-0.399	-0.658	0.000
N3	-0.399	1.888	0.000
N4	0.399	-1.888	0.000
H5	1.027	-1.863	0.809
H6	1.027	-1.863	-0.809
H7	-1.027	1.863	0.809
H8	-1.027	1.863	-0.809
H9	-1.064	-0.677	-0.886
H10	-1.064	-0.677	0.886
H11	1.064	0.677	-0.886
H12	1.064	0.677	0.886

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5384	1.4668	2.5457	2.7206	2.7206	2.0352	2.0352	2.1699	2.1699	1.1082	1.1082
C2	1.5384		2.5457	1.4668	2.0352	2.0352	2.7206	2.7206	1.1082	1.1082	2.1699	2.1699
N3	1.4668	2.5457		3.8598	4.0938	4.0938	1.0247	1.0247	2.7944	2.7944	2.0960	2.0960
N4	2.5457	1.4668	3.8598		1.0247	1.0247	4.0938	4.0938	2.0960	2.0960	2.7944	2.7944
H5	2.7206	2.0352	4.0938	1.0247		1.6182	4.2547	4.5520	2.9418	2.4056	3.0539	2.5415
H6	2.7206	2.0352	4.0938	1.0247	1.6182		4.5520	4.2547	2.4056	2.9418	2.5415	3.0539
H7	2.0352	2.7206	1.0247	4.0938	4.2547	4.5520		1.6182	3.0539	2.5415	2.9418	2.4056
H8	2.0352	2.7206	1.0247	4.0938	4.5520	4.2547	1.6182		2.5415	3.0539	2.4056	2.9418
H9	2.1699	1.1082	2.7944	2.0960	2.9418	2.4056	3.0539	2.5415		1.7721	2.5230	3.0832
H10	2.1699	1.1082	2.7944	2.0960	2.4056	2.9418	2.5415	3.0539	1.7721		3.0832	2.5230
H11	1.1082	2.1699	2.0960	2.7944	3.0539	2.5415	2.9418	2.4056	2.5230	3.0832		1.7721
H12	1.1082	2.1699	2.0960	2.7944	2.5415	3.0539	2.4056	2.9418	3.0832	2.5230	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.777	C1	C2	H9	109.064
C1	C2	H10	109.064	C1	N3	H7	108.234
C1	N3	H8	108.234	C2	C1	N3	115.777
C2	C1	H11	109.064	C2	C1	H12	109.064
C2	N4	H5	108.234	C2	N4	H6	108.234
N3	C1	H11	108.168	N3	C1	H12	108.168
N4	C2	H9	108.168	N4	C2	H10	108.168
H5	N4	H6	104.297	H7	N3	H8	104.297
H9	C2	H10	106.178	H11	C1	H12	106.178

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: CCD/cc-pVDZ

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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All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)