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	hartrees
Energy at 0K	-189.971139
Energy at 298.15K	-189.981486
HF Energy	-189.286328
Nuclear repulsion energy	131.751420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3566	3343	0.00
2	A_g	3101	2908	0.00
3	A_g	1717	1610	0.00
4	A_g	1546	1449	0.00
5	A_g	1460	1369	0.00
6	A_g	1163	1090	0.00
7	A_g	1114	1045	0.00
8	A_g	894	838	0.00
9	A_g	474	444	0.00
10	A_u	3657	3429	0.41
11	A_u	3166	2968	73.33
12	A_u	1439	1349	1.87
13	A_u	1102	1033	0.75
14	A_u	773	725	0.03
15	A_u	285	267	120.17
16	A_u	155	145	0.26
17	B_g	3658	3429	0.00
18	B_g	3141	2945	0.00
19	B_g	1414	1326	0.00
20	B_g	1347	1263	0.00
21	B_g	971	910	0.00
22	B_g	317	297	0.00
23	B_u	3566	3343	1.50
24	B_u	3108	2914	82.46
25	B_u	1715	1608	46.43
26	B_u	1563	1465	0.15
27	B_u	1373	1287	31.17
28	B_u	1128	1057	6.96
29	B_u	937	878	388.99
30	B_u	283	265	20.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.654	0.000
C2	-0.399	-0.654	0.000
N3	-0.399	1.882	0.000
N4	0.399	-1.882	0.000
H5	1.010	-1.884	0.809
H6	1.010	-1.884	-0.809
H7	-1.010	1.884	0.809
H8	-1.010	1.884	-0.809
H9	-1.053	-0.676	-0.876
H10	-1.053	-0.676	0.876
H11	1.053	0.676	-0.876
H12	1.053	0.676	0.876

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5326	1.4635	2.5359	2.7340	2.7340	2.0381	2.0381	2.1553	2.1553	1.0937	1.0937
C2	1.5326		2.5359	1.4635	2.0381	2.0381	2.7340	2.7340	1.0937	1.0937	2.1553	2.1553
N3	1.4635	2.5359		3.8466	4.1016	4.1016	1.0146	1.0146	2.7816	2.7816	2.0805	2.0805
N4	2.5359	1.4635	3.8466		1.0146	1.0146	4.1016	4.1016	2.0805	2.0805	2.7816	2.7816
H5	2.7340	2.0381	4.1016	1.0146		1.6188	4.2765	4.5726	2.9256	2.3922	3.0657	2.5618
H6	2.7340	2.0381	4.1016	1.0146	1.6188		4.5726	4.2765	2.3922	2.9256	2.5618	3.0657
H7	2.0381	2.7340	1.0146	4.1016	4.2765	4.5726		1.6188	3.0657	2.5618	2.9256	2.3922
H8	2.0381	2.7340	1.0146	4.1016	4.5726	4.2765	1.6188		2.5618	3.0657	2.3922	2.9256
H9	2.1553	1.0937	2.7816	2.0805	2.9256	2.3922	3.0657	2.5618		1.7520	2.5030	3.0552
H10	2.1553	1.0937	2.7816	2.0805	2.3922	2.9256	2.5618	3.0657	1.7520		3.0552	2.5030
H11	1.0937	2.1553	2.0805	2.7816	3.0657	2.5618	2.9256	2.3922	2.5030	3.0552		1.7520
H12	1.0937	2.1553	2.0805	2.7816	2.5618	3.0657	2.3922	2.9256	3.0552	2.5030	1.7520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.630	C1	C2	H9	109.165
C1	C2	H10	109.165	C1	N3	H7	109.325
C1	N3	H8	109.325	C2	C1	N3	115.630
C2	C1	H11	109.165	C2	C1	H12	109.165
C2	N4	H5	109.325	C2	N4	H6	109.325
N3	C1	H11	108.024	N3	C1	H12	108.024
N4	C2	H9	108.024	N4	C2	H10	108.024
H5	N4	H6	105.840	H7	N3	H8	105.840
H9	C2	H10	106.445	H11	C1	H12	106.445

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: CCD/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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All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: CCD/6-31G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)