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	hartrees
Energy at 0K	-190.357891
Energy at 298.15K	-190.367766
Nuclear repulsion energy	129.440470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3405	3379	0.00
2	A_g	2942	2920	0.00
3	A_g	1665	1652	0.00
4	A_g	1479	1468	0.00
5	A_g	1373	1363	0.00
6	A_g	1066	1058	0.00
7	A_g	968	961	0.00
8	A_g	600	595	0.00
9	A_g	445	441	0.00
10	A_u	3518	3491	1.70
11	A_u	3006	2984	94.23
12	A_u	1359	1349	0.74
13	A_u	1050	1042	0.09
14	A_u	748	742	1.47
15	A_u	261	259	120.57
16	A_u	143	142	0.00
17	B_g	3518	3492	0.00
18	B_g	2976	2953	0.00
19	B_g	1346	1336	0.00
20	B_g	1275	1266	0.00
21	B_g	919	912	0.00
22	B_g	295	293	0.00
23	B_u	3405	3379	4.84
24	B_u	2951	2928	112.73
25	B_u	1666	1653	42.39
26	B_u	1498	1487	0.53
27	B_u	1323	1313	11.27
28	B_u	1047	1039	28.74
29	B_u	608	604	611.47
30	B_u	259	257	25.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	0.671	0.000
C2	-0.404	-0.671	0.000
N3	-0.404	1.909	0.000
N4	0.404	-1.909	0.000
H5	0.967	-2.043	0.844
H6	0.967	-2.043	-0.844
H7	-0.967	2.043	0.844
H8	-0.967	2.043	-0.844
H9	-1.065	-0.690	-0.887
H10	-1.065	-0.690	0.887
H11	1.065	0.690	-0.887
H12	1.065	0.690	0.887

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5657	1.4783	2.5799	2.8975	2.8975	2.1153	2.1153	2.1903	2.1903	1.1067	1.1067
C2	1.5657		2.5799	1.4783	2.1153	2.1153	2.8975	2.8975	1.1067	1.1067	2.1903	2.1903
N3	1.4783	2.5799		3.9027	4.2676	4.2676	1.0236	1.0236	2.8253	2.8253	2.1048	2.1048
N4	2.5799	1.4783	3.9027		1.0236	1.0236	4.2676	4.2676	2.1048	2.1048	2.8253	2.8253
H5	2.8975	2.1153	4.2676	1.0236		1.6884	4.5209	4.8258	2.9927	2.4417	3.2371	2.7358
H6	2.8975	2.1153	4.2676	1.0236	1.6884		4.8258	4.5209	2.4417	2.9927	2.7358	3.2371
H7	2.1153	2.8975	1.0236	4.2676	4.5209	4.8258		1.6884	3.2371	2.7358	2.9927	2.4417
H8	2.1153	2.8975	1.0236	4.2676	4.8258	4.5209	1.6884		2.7358	3.2371	2.4417	2.9927
H9	2.1903	1.1067	2.8253	2.1048	2.9927	2.4417	3.2371	2.7358		1.7736	2.5391	3.0972
H10	2.1903	1.1067	2.8253	2.1048	2.4417	2.9927	2.7358	3.2371	1.7736		3.0972	2.5391
H11	1.1067	2.1903	2.1048	2.8253	3.2371	2.7358	2.9927	2.4417	2.5391	3.0972		1.7736
H12	1.1067	2.1903	2.1048	2.8253	2.7358	3.2371	2.4417	2.9927	3.0972	2.5391	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.861	C1	C2	H9	108.877
C1	C2	H10	108.877	C1	N3	H7	114.216
C1	N3	H8	114.216	C2	C1	N3	115.861
C2	C1	H11	108.877	C2	C1	H12	108.877
C2	N4	H5	114.216	C2	N4	H6	114.216
N3	C1	H11	108.161	N3	C1	H12	108.161
N4	C2	H9	108.161	N4	C2	H10	108.161
H5	N4	H6	111.125	H7	N3	H8	111.125
H9	C2	H10	106.513	H11	C1	H12	106.513

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: BLYP/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	-0.107
2	C	-0.107
3	N	-0.632
4	N	-0.632
5	H	0.258
6	H	0.258
7	H	0.258
8	H	0.258
9	H	0.111
10	H	0.111
11	H	0.111
12	H	0.111

	x	y	z
x	5.079	-0.921	0.000
y	-0.921	5.896	0.000
z	0.000	0.000	5.393

<r²>	110.545
(<r²>)^1/2	10.514

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)