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	hartrees
Energy at 0K	-189.999552
Energy at 298.15K	-190.009808
HF Energy	-189.294730
Nuclear repulsion energy	131.819756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3606	3360	0.00
2	A_g	3119	2905	0.00
3	A_g	1721	1603	0.00
4	A_g	1540	1434	0.00
5	A_g	1458	1358	0.00
6	A_g	1155	1076	0.00
7	A_g	1101	1026	0.00
8	A_g	855	796	0.00
9	A_g	473	440	0.00
10	A_u	3701	3448	2.60
11	A_u	3185	2967	70.34
12	A_u	1432	1334	0.77
13	A_u	1095	1020	0.62
14	A_u	773	720	0.00
15	A_u	262	244	122.60
16	A_u	152	142	0.23
17	B_g	3701	3448	0.00
18	B_g	3159	2943	0.00
19	B_g	1408	1311	0.00
20	B_g	1342	1250	0.00
21	B_g	967	900	0.00
22	B_g	288	268	0.00
23	B_u	3606	3359	1.17
24	B_u	3125	2911	81.04
25	B_u	1719	1602	67.92
26	B_u	1557	1450	0.70
27	B_u	1373	1280	24.41
28	B_u	1125	1048	22.07
29	B_u	891	830	402.02
30	B_u	282	263	22.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.655	0.000
C2	-0.399	-0.655	0.000
N3	-0.399	1.881	0.000
N4	0.399	-1.881	0.000
H5	0.995	-1.926	0.816
H6	0.995	-1.926	-0.816
H7	-0.995	1.926	0.816
H8	-0.995	1.926	-0.816
H9	-1.051	-0.674	-0.875
H10	-1.051	-0.674	0.875
H11	1.051	0.674	-0.875
H12	1.051	0.674	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5344	1.4618	2.5360	2.7727	2.7727	2.0554	2.0554	2.1531	2.1531	1.0914	1.0914
C2	1.5344		2.5360	1.4618	2.0554	2.0554	2.7727	2.7727	1.0914	1.0914	2.1531	2.1531
N3	1.4618	2.5360		3.8447	4.1355	4.1355	1.0121	1.0121	2.7783	2.7783	2.0790	2.0790
N4	2.5360	1.4618	3.8447		1.0121	1.0121	4.1355	4.1355	2.0790	2.0790	2.7783	2.7783
H5	2.7727	2.0554	4.1355	1.0121		1.6328	4.3365	4.6337	2.9351	2.3996	3.1028	2.6021
H6	2.7727	2.0554	4.1355	1.0121	1.6328		4.6337	4.3365	2.3996	2.9351	2.6021	3.1028
H7	2.0554	2.7727	1.0121	4.1355	4.3365	4.6337		1.6328	3.1028	2.6021	2.9351	2.3996
H8	2.0554	2.7727	1.0121	4.1355	4.6337	4.3365	1.6328		2.6021	3.1028	2.3996	2.9351
H9	2.1531	1.0914	2.7783	2.0790	2.9351	2.3996	3.1028	2.6021		1.7494	2.4979	3.0496
H10	2.1531	1.0914	2.7783	2.0790	2.3996	2.9351	2.6021	3.1028	1.7494		3.0496	2.4979
H11	1.0914	2.1531	2.0790	2.7783	3.1028	2.6021	2.9351	2.3996	2.4979	3.0496		1.7494
H12	1.0914	2.1531	2.0790	2.7783	2.6021	3.1028	2.3996	2.9351	3.0496	2.4979	1.7494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.625	C1	C2	H9	109.000
C1	C2	H10	109.000	C1	N3	H7	111.065
C1	N3	H8	111.065	C2	C1	N3	115.625
C2	C1	H11	109.000	C2	C1	H12	109.000
C2	N4	H5	111.065	C2	N4	H6	111.065
N3	C1	H11	108.153	N3	C1	H12	108.153
N4	C2	H9	108.153	N4	C2	H10	108.153
H5	N4	H6	107.545	H7	N3	H8	107.545
H9	C2	H10	106.534	H11	C1	H12	106.534

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)