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	hartrees
Energy at 0K	-35.864151
Energy at 298.15K	-35.874008
Nuclear repulsion energy	76.913508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3493	3404	0.00
2	A_g	2981	2905	0.00
3	A_g	1696	1653	0.00
4	A_g	1496	1458	0.00
5	A_g	1394	1358	0.00
6	A_g	1100	1072	0.00
7	A_g	1016	990	0.00
8	A_g	598	582	0.00
9	A_g	446	435	0.00
10	A_u	3620	3528	0.70
11	A_u	3053	2976	113.40
12	A_u	1371	1336	0.29
13	A_u	1049	1022	0.52
14	A_u	756	737	1.00
15	A_u	235	229	109.87
16	A_u	133	130	0.00
17	B_g	3620	3528	0.00
18	B_g	3020	2943	0.00
19	B_g	1356	1322	0.00
20	B_g	1285	1252	0.00
21	B_g	924	900	0.00
22	B_g	261	254	0.00
23	B_u	3493	3403	5.41
24	B_u	2987	2911	135.32
25	B_u	1697	1653	68.89
26	B_u	1516	1478	2.01
27	B_u	1335	1301	12.31
28	B_u	1078	1050	48.15
29	B_u	608	593	650.31
30	B_u	263	256	26.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	0.668	0.000
C2	-0.406	-0.668	0.000
N3	-0.406	1.905	0.000
N4	0.406	-1.905	0.000
H5	0.951	-2.062	0.844
H6	0.951	-2.062	-0.844
H7	-0.951	2.062	0.844
H8	-0.951	2.062	-0.844
H9	-1.065	-0.687	-0.882
H10	-1.065	-0.687	0.882
H11	1.065	0.687	-0.882
H12	1.065	0.687	0.882

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5640	1.4802	2.5736	2.9090	2.9090	2.1207	2.1207	2.1856	2.1856	1.1006	1.1006
C2	1.5640		2.5736	1.4802	2.1207	2.1207	2.9090	2.9090	1.1006	1.1006	2.1856	2.1856
N3	1.4802	2.5736		3.8965	4.2772	4.2772	1.0166	1.0166	2.8159	2.8159	2.1040	2.1040
N4	2.5736	1.4802	3.8965		1.0166	1.0166	4.2772	4.2772	2.1040	2.1040	2.8159	2.8159
H5	2.9090	2.1207	4.2772	1.0166		1.6876	4.5414	4.8449	2.9888	2.4407	3.2472	2.7510
H6	2.9090	2.1207	4.2772	1.0166	1.6876		4.8449	4.5414	2.4407	2.9888	2.7510	3.2472
H7	2.1207	2.9090	1.0166	4.2772	4.5414	4.8449		1.6876	3.2472	2.7510	2.9888	2.4407
H8	2.1207	2.9090	1.0166	4.2772	4.8449	4.5414	1.6876		2.7510	3.2472	2.4407	2.9888
H9	2.1856	1.1006	2.8159	2.1040	2.9888	2.4407	3.2472	2.7510		1.7634	2.5339	3.0871
H10	2.1856	1.1006	2.8159	2.1040	2.4407	2.9888	2.7510	3.2472	1.7634		3.0871	2.5339
H11	1.1006	2.1856	2.1040	2.8159	3.2472	2.7510	2.9888	2.4407	2.5339	3.0871		1.7634
H12	1.1006	2.1856	2.1040	2.8159	2.7510	3.2472	2.4407	2.9888	3.0871	2.5339	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.403	C1	C2	H9	108.972
C1	C2	H10	108.972	C1	N3	H7	115.020
C1	N3	H8	115.020	C2	C1	N3	115.403
C2	C1	H11	108.972	C2	C1	H12	108.972
C2	N4	H5	115.020	C2	N4	H6	115.020
N3	C1	H11	108.330	N3	C1	H12	108.330
N4	C2	H9	108.330	N4	C2	H10	108.330
H5	N4	H6	112.201	H7	N3	H8	112.201
H9	C2	H10	106.471	H11	C1	H12	106.471

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3LYP/CEP-121G

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	-0.222
2	C	-0.222
3	N	-0.546
4	N	-0.546
5	H	0.260
6	H	0.260
7	H	0.260
8	H	0.260
9	H	0.124
10	H	0.124
11	H	0.124
12	H	0.124

	x	y	z
x	5.788	-0.536	0.000
y	-0.536	6.316	0.000
z	0.000	0.000	5.786

<r²>	93.034
(<r²>)^1/2	9.645

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)