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	hartrees
Energy at 0K	-190.347908
Energy at 298.15K	-190.357899
Nuclear repulsion energy	130.956303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3399	3377	0.00
2	A_g	2936	2917	0.00
3	A_g	1607	1596	0.00
4	A_g	1424	1415	0.00
5	A_g	1336	1328	0.00
6	A_g	1079	1072	0.00
7	A_g	1015	1008	0.00
8	A_g	783	778	0.00
9	A_g	441	438	0.00
10	A_u	3477	3454	0.71
11	A_u	2993	2973	59.62
12	A_u	1346	1337	1.48
13	A_u	1040	1033	0.27
14	A_u	731	726	0.88
15	A_u	235	233	87.62
16	A_u	138	137	0.40
17	B_g	3477	3455	0.00
18	B_g	2964	2945	0.00
19	B_g	1326	1318	0.00
20	B_g	1255	1247	0.00
21	B_g	909	903	0.00
22	B_g	272	270	0.00
23	B_u	3398	3376	6.02
24	B_u	2946	2927	84.59
25	B_u	1606	1596	40.57
26	B_u	1443	1433	1.05
27	B_u	1279	1270	12.94
28	B_u	1053	1046	20.95
29	B_u	818	812	335.28
30	B_u	256	254	17.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.660	0.000
C2	-0.397	-0.660	0.000
N3	-0.397	1.893	0.000
N4	0.397	-1.893	0.000
H5	1.008	-1.923	0.818
H6	1.008	-1.923	-0.818
H7	-1.008	1.923	0.818
H8	-1.008	1.923	-0.818
H9	-1.060	-0.681	-0.881
H10	-1.060	-0.681	0.881
H11	1.060	0.681	-0.881
H12	1.060	0.681	0.881

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5400	1.4658	2.5526	2.7776	2.7776	2.0587	2.0587	2.1668	2.1668	1.1031	1.1031
C2	1.5400		2.5526	1.4658	2.0587	2.0587	2.7776	2.7776	1.1031	1.1031	2.1668	2.1668
N3	1.4658	2.5526		3.8673	4.1474	4.1474	1.0219	1.0219	2.7997	2.7997	2.0895	2.0895
N4	2.5526	1.4658	3.8673		1.0219	1.0219	4.1474	4.1474	2.0895	2.0895	2.7997	2.7997
H5	2.7776	2.0587	4.1474	1.0219		1.6364	4.3424	4.6405	2.9509	2.4131	3.1097	2.6049
H6	2.7776	2.0587	4.1474	1.0219	1.6364		4.6405	4.3424	2.4131	2.9509	2.6049	3.1097
H7	2.0587	2.7776	1.0219	4.1474	4.3424	4.6405		1.6364	3.1097	2.6049	2.9509	2.4131
H8	2.0587	2.7776	1.0219	4.1474	4.6405	4.3424	1.6364		2.6049	3.1097	2.4131	2.9509
H9	2.1668	1.1031	2.7997	2.0895	2.9509	2.4131	3.1097	2.6049		1.7629	2.5188	3.0745
H10	2.1668	1.1031	2.7997	2.0895	2.4131	2.9509	2.6049	3.1097	1.7629		3.0745	2.5188
H11	1.1031	2.1668	2.0895	2.7997	3.1097	2.6049	2.9509	2.4131	2.5188	3.0745		1.7629
H12	1.1031	2.1668	2.0895	2.7997	2.6049	3.1097	2.4131	2.9509	3.0745	2.5188	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.228	C1	C2	H9	109.006
C1	C2	H10	109.006	C1	N3	H7	110.418
C1	N3	H8	110.418	C2	C1	N3	116.228
C2	C1	H11	109.006	C2	C1	H12	109.006
C2	N4	H5	110.418	C2	N4	H6	110.418
N3	C1	H11	108.027	N3	C1	H12	108.027
N4	C2	H9	108.027	N4	C2	H10	108.027
H5	N4	H6	106.376	H7	N3	H8	106.376
H9	C2	H10	106.079	H11	C1	H12	106.079

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	-0.044
2	C	-0.044
3	N	-0.422
4	N	-0.422
5	H	0.046
6	H	0.046
7	H	0.046
8	H	0.046
9	H	0.188
10	H	0.188
11	H	0.188
12	H	0.188

	x	y	z
x	7.527	-0.379	0.000
y	-0.379	8.656	0.000
z	0.000	0.000	6.650

<r²>	108.219
(<r²>)^1/2	10.403

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)