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	hartrees
Energy at 0K	-190.256896
Energy at 298.15K	-190.267045
HF Energy	-190.256896
Nuclear repulsion energy	130.646205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3360	3304	0.00
2	A_g	2951	2902	0.00
3	A_g	1655	1627	0.00
4	A_g	1455	1431	0.00
5	A_g	1365	1342	0.00
6	A_g	1110	1092	0.00
7	A_g	1032	1015	0.00
8	A_g	849	835	0.00
9	A_g	446	439	0.00
10	A_u	3448	3391	3.06
11	A_u	3012	2963	74.03
12	A_u	1375	1352	2.86
13	A_u	1059	1042	0.36
14	A_u	740	728	1.09
15	A_u	278	273	118.94
16	A_u	145	143	0.00
17	B_g	3449	3392	0.00
18	B_g	2985	2936	0.00
19	B_g	1351	1328	0.00
20	B_g	1277	1256	0.00
21	B_g	927	912	0.00
22	B_g	320	315	0.00
23	B_u	3359	3304	7.46
24	B_u	2959	2910	92.31
25	B_u	1653	1626	39.40
26	B_u	1474	1450	0.72
27	B_u	1298	1277	27.94
28	B_u	1079	1061	5.22
29	B_u	888	873	401.87
30	B_u	257	253	19.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.396	0.663	0.000
C2	-0.396	-0.663	0.000
N3	-0.396	1.900	0.000
N4	0.396	-1.900	0.000
H5	1.022	-1.893	0.816
H6	1.022	-1.893	-0.816
H7	-1.022	1.893	0.816
H8	-1.022	1.893	-0.816
H9	-1.062	-0.686	-0.885
H10	-1.062	-0.686	0.885
H11	1.062	0.686	-0.885
H12	1.062	0.686	0.885

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5447	1.4693	2.5629	2.7549	2.7549	2.0471	2.0471	2.1753	2.1753	1.1080	1.1080
C2	1.5447		2.5629	1.4693	2.0471	2.0471	2.7549	2.7549	1.1080	1.1080	2.1753	2.1753
N3	1.4693	2.5629		3.8817	4.1308	4.1308	1.0284	1.0284	2.8135	2.8135	2.0940	2.0940
N4	2.5629	1.4693	3.8817		1.0284	1.0284	4.1308	4.1308	2.0940	2.0940	2.8135	2.8135
H5	2.7549	2.0471	4.1308	1.0284		1.6326	4.3022	4.6016	2.9488	2.4094	3.0901	2.5804
H6	2.7549	2.0471	4.1308	1.0284	1.6326		4.6016	4.3022	2.4094	2.9488	2.5804	3.0901
H7	2.0471	2.7549	1.0284	4.1308	4.3022	4.6016		1.6326	3.0901	2.5804	2.9488	2.4094
H8	2.0471	2.7549	1.0284	4.1308	4.6016	4.3022	1.6326		2.5804	3.0901	2.4094	2.9488
H9	2.1753	1.1080	2.8135	2.0940	2.9488	2.4094	3.0901	2.5804		1.7703	2.5296	3.0875
H10	2.1753	1.1080	2.8135	2.0940	2.4094	2.9488	2.5804	3.0901	1.7703		3.0875	2.5296
H11	1.1080	2.1753	2.0940	2.8135	3.0901	2.5804	2.9488	2.4094	2.5296	3.0875		1.7703
H12	1.1080	2.1753	2.0940	2.8135	2.5804	3.0901	2.4094	2.9488	3.0875	2.5296	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.470	C1	C2	H9	109.063
C1	C2	H10	109.063	C1	N3	H7	108.806
C1	N3	H8	108.806	C2	C1	N3	116.470
C2	C1	H11	109.063	C2	C1	H12	109.063
C2	N4	H5	108.806	C2	N4	H6	108.806
N3	C1	H11	107.853	N3	C1	H12	107.853
N4	C2	H9	107.853	N4	C2	H10	107.853
H5	N4	H6	105.074	H7	N3	H8	105.074
H9	C2	H10	106.044	H11	C1	H12	106.044

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: PBEPBEultrafine/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	-0.201
2	C	-0.201
3	N	-0.683
4	N	-0.683
5	H	0.295
6	H	0.295
7	H	0.295
8	H	0.295
9	H	0.147
10	H	0.147
11	H	0.147
12	H	0.147

	x	y	z
x	5.443	-0.750	0.000
y	-0.750	5.997	0.000
z	0.000	0.000	5.433

<r²>	107.859
(<r²>)^1/2	10.386

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)