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	hartrees
Energy at 0K	-190.531093
Energy at 298.15K	-190.541320
HF Energy	-190.531093
Nuclear repulsion energy	131.898814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3538	3379	0.00
2	A_g	3040	2903	0.00
3	A_g	1674	1599	0.00
4	A_g	1486	1419	0.00
5	A_g	1425	1361	0.00
6	A_g	1133	1082	0.00
7	A_g	1064	1016	0.00
8	A_g	820	783	0.00
9	A_g	468	447	0.00
10	A_u	3623	3460	0.94
11	A_u	3099	2960	72.21
12	A_u	1407	1343	1.13
13	A_u	1092	1042	0.20
14	A_u	764	730	0.17
15	A_u	263	252	112.15
16	A_u	149	143	0.71
17	B_g	3624	3461	0.00
18	B_g	3072	2934	0.00
19	B_g	1385	1322	0.00
20	B_g	1310	1251	0.00
21	B_g	956	913	0.00
22	B_g	293	280	0.00
23	B_u	3538	3379	0.47
24	B_u	3047	2910	90.87
25	B_u	1674	1598	61.66
26	B_u	1501	1433	2.78
27	B_u	1352	1291	17.63
28	B_u	1109	1059	23.15
29	B_u	850	812	422.81
30	B_u	283	270	22.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.656	0.000
C2	-0.398	-0.656	0.000
N3	-0.398	1.877	0.000
N4	0.398	-1.877	0.000
H5	0.996	-1.922	0.816
H6	0.996	-1.922	-0.816
H7	-0.996	1.922	0.816
H8	-0.996	1.922	-0.816
H9	-1.055	-0.674	-0.875
H10	-1.055	-0.674	0.875
H11	1.055	0.674	-0.875
H12	1.055	0.674	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5351	1.4579	2.5330	2.7689	2.7689	2.0520	2.0520	2.1556	2.1556	1.0944	1.0944
C2	1.5351		2.5330	1.4579	2.0520	2.0520	2.7689	2.7689	1.0944	1.0944	2.1556	2.1556
N3	1.4579	2.5330		3.8376	4.1278	4.1278	1.0122	1.0122	2.7755	2.7755	2.0800	2.0800
N4	2.5330	1.4579	3.8376		1.0122	1.0122	4.1278	4.1278	2.0800	2.0800	2.7755	2.7755
H5	2.7689	2.0520	4.1278	1.0122		1.6320	4.3285	4.6259	2.9365	2.4013	3.0983	2.5967
H6	2.7689	2.0520	4.1278	1.0122	1.6320		4.6259	4.3285	2.4013	2.9365	2.5967	3.0983
H7	2.0520	2.7689	1.0122	4.1278	4.3285	4.6259		1.6320	3.0983	2.5967	2.9365	2.4013
H8	2.0520	2.7689	1.0122	4.1278	4.6259	4.3285	1.6320		2.5967	3.0983	2.4013	2.9365
H9	2.1556	1.0944	2.7755	2.0800	2.9365	2.4013	3.0983	2.5967		1.7507	2.5035	3.0549
H10	2.1556	1.0944	2.7755	2.0800	2.4013	2.9365	2.5967	3.0983	1.7507		3.0549	2.5035
H11	1.0944	2.1556	2.0800	2.7755	3.0983	2.5967	2.9365	2.4013	2.5035	3.0549		1.7507
H12	1.0944	2.1556	2.0800	2.7755	2.5967	3.0983	2.4013	2.9365	3.0549	2.5035	1.7507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.604	C1	C2	H9	108.978
C1	C2	H10	108.978	C1	N3	H7	111.062
C1	N3	H8	111.062	C2	C1	N3	115.604
C2	C1	H11	108.978	C2	C1	H12	108.978
C2	N4	H5	111.062	C2	N4	H6	111.062
N3	C1	H11	108.323	N3	C1	H12	108.323
N4	C2	H9	108.323	N4	C2	H10	108.323
H5	N4	H6	107.443	H7	N3	H8	107.443
H9	C2	H10	106.234	H11	C1	H12	106.234

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: wB97X-D/TZVP

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	-0.203
2	C	-0.203
3	N	-0.414
4	N	-0.414
5	H	0.198
6	H	0.198
7	H	0.198
8	H	0.198
9	H	0.111
10	H	0.111
11	H	0.111
12	H	0.111

	x	y	z
x	6.027	-0.440	0.000
y	-0.440	6.615	0.000
z	0.000	0.000	5.790

<r²>	106.487
(<r²>)^1/2	10.319

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)