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	hartrees
Energy at 0K	-190.278751
Energy at 298.15K	-190.289038
HF Energy	-190.084856
Nuclear repulsion energy	131.425547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3486	3309	0.00
2	A_g	3061	2906	0.00
3	A_g	1720	1633	0.00
4	A_g	1530	1453	0.00
5	A_g	1435	1362	0.00
6	A_g	1143	1085	0.00
7	A_g	1083	1028	0.00
8	A_g	880	835	0.00
9	A_g	464	440	0.00
10	A_u	3575	3393	0.59
11	A_u	3121	2963	76.71
12	A_u	1429	1356	2.07
13	A_u	1096	1041	0.44
14	A_u	771	732	0.37
15	A_u	284	270	123.84
16	A_u	152	144	0.07
17	B_g	3576	3394	0.00
18	B_g	3095	2938	0.00
19	B_g	1405	1333	0.00
20	B_g	1334	1266	0.00
21	B_g	965	916	0.00
22	B_g	320	304	0.00
23	B_u	3486	3309	2.24
24	B_u	3068	2912	87.65
25	B_u	1718	1631	47.02
26	B_u	1548	1470	0.45
27	B_u	1360	1291	29.40
28	B_u	1107	1051	7.40
29	B_u	923	876	422.49
30	B_u	274	260	20.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.657	0.000
C2	-0.398	-0.657	0.000
N3	-0.398	1.887	0.000
N4	0.398	-1.887	0.000
H5	1.011	-1.895	0.813
H6	1.011	-1.895	-0.813
H7	-1.011	1.895	0.813
H8	-1.011	1.895	-0.813
H9	-1.055	-0.681	-0.878
H10	-1.055	-0.681	0.878
H11	1.055	0.681	-0.878
H12	1.055	0.681	0.878

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5366	1.4643	2.5441	2.7479	2.7479	2.0439	2.0439	2.1614	2.1614	1.0968	1.0968
C2	1.5366		2.5441	1.4643	2.0439	2.0439	2.7479	2.7479	1.0968	1.0968	2.1614	2.1614
N3	1.4643	2.5441		3.8564	4.1167	4.1167	1.0183	1.0183	2.7921	2.7921	2.0819	2.0819
N4	2.5441	1.4643	3.8564		1.0183	1.0183	4.1167	4.1167	2.0819	2.0819	2.7921	2.7921
H5	2.7479	2.0439	4.1167	1.0183		1.6251	4.2959	4.5930	2.9326	2.3972	3.0815	2.5772
H6	2.7479	2.0439	4.1167	1.0183	1.6251		4.5930	4.2959	2.3972	2.9326	2.5772	3.0815
H7	2.0439	2.7479	1.0183	4.1167	4.2959	4.5930		1.6251	3.0815	2.5772	2.9326	2.3972
H8	2.0439	2.7479	1.0183	4.1167	4.5930	4.2959	1.6251		2.5772	3.0815	2.3972	2.9326
H9	2.1614	1.0968	2.7921	2.0819	2.9326	2.3972	3.0815	2.5772		1.7559	2.5110	3.0640
H10	2.1614	1.0968	2.7921	2.0819	2.3972	2.9326	2.5772	3.0815	1.7559		3.0640	2.5110
H11	1.0968	2.1614	2.0819	2.7921	3.0815	2.5772	2.9326	2.3972	2.5110	3.0640		1.7559
H12	1.0968	2.1614	2.0819	2.7921	2.5772	3.0815	2.3972	2.9326	3.0640	2.5110	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.919	C1	C2	H9	109.182
C1	C2	H10	109.182	C1	N3	H7	109.518
C1	N3	H8	109.518	C2	C1	N3	115.919
C2	C1	H11	109.182	C2	C1	H12	109.182
C2	N4	H5	109.518	C2	N4	H6	109.518
N3	C1	H11	107.893	N3	C1	H12	107.893
N4	C2	H9	107.893	N4	C2	H10	107.893
H5	N4	H6	105.879	H7	N3	H8	105.879
H9	C2	H10	106.351	H11	C1	H12	106.351

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.149
2	C	-0.149
3	N	-0.757
4	N	-0.757
5	H	0.309
6	H	0.309
7	H	0.309
8	H	0.309
9	H	0.144
10	H	0.144
11	H	0.144
12	H	0.144

	x	y	z
x	5.169	-0.711	0.000
y	-0.711	5.554	0.000
z	0.000	0.000	5.235

<r²>	106.987
(<r²>)^1/2	10.343

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)