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	hartrees
Energy at 0K	-189.309336
Energy at 298.15K	-189.319788
Nuclear repulsion energy	132.445205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3737	3380	0.00
2	A_g	3176	2873	0.00
3	A_g	1857	1679	0.00
4	A_g	1619	1464	0.00
5	A_g	1546	1398	0.00
6	A_g	1195	1080	0.00
7	A_g	1152	1042	0.00
8	A_g	926	838	0.00
9	A_g	492	445	0.00
10	A_u	3810	3446	0.24
11	A_u	3225	2916	128.21
12	A_u	1526	1380	1.13
13	A_u	1158	1047	0.31
14	A_u	808	731	0.02
15	A_u	280	253	122.12
16	A_u	156	141	0.76
17	B_g	3810	3446	0.00
18	B_g	3193	2888	0.00
19	B_g	1498	1355	0.00
20	B_g	1417	1281	0.00
21	B_g	1020	922	0.00
22	B_g	308	279	0.00
23	B_u	3737	3380	1.89
24	B_u	3180	2876	132.17
25	B_u	1855	1678	70.63
26	B_u	1635	1479	0.87
27	B_u	1454	1315	36.65
28	B_u	1159	1048	27.37
29	B_u	974	881	467.73
30	B_u	300	271	20.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.654	0.000
C2	-0.398	-0.654	0.000
N3	-0.398	1.870	0.000
N4	0.398	-1.870	0.000
H5	0.990	-1.909	0.804
H6	0.990	-1.909	-0.804
H7	-0.990	1.909	0.804
H8	-0.990	1.909	-0.804
H9	-1.050	-0.679	-0.869
H10	-1.050	-0.679	0.869
H11	1.050	0.679	-0.869
H12	1.050	0.679	0.869

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5311	1.4535	2.5238	2.7509	2.7509	2.0370	2.0370	2.1516	2.1516	1.0869	1.0869
C2	1.5311		2.5238	1.4535	2.0370	2.0370	2.7509	2.7509	1.0869	1.0869	2.1516	2.1516
N3	1.4535	2.5238		3.8237	4.1057	4.1057	0.9992	0.9992	2.7708	2.7708	2.0668	2.0668
N4	2.5238	1.4535	3.8237		0.9992	0.9992	4.1057	4.1057	2.0668	2.0668	2.7708	2.7708
H5	2.7509	2.0370	4.1057	0.9992		1.6082	4.3016	4.5923	2.9114	2.3835	3.0826	2.5898
H6	2.7509	2.0370	4.1057	0.9992	1.6082		4.5923	4.3016	2.3835	2.9114	2.5898	3.0826
H7	2.0370	2.7509	0.9992	4.1057	4.3016	4.5923		1.6082	3.0826	2.5898	2.9114	2.3835
H8	2.0370	2.7509	0.9992	4.1057	4.5923	4.3016	1.6082		2.5898	3.0826	2.3835	2.9114
H9	2.1516	1.0869	2.7708	2.0668	2.9114	2.3835	3.0826	2.5898		1.7381	2.5013	3.0459
H10	2.1516	1.0869	2.7708	2.0668	2.3835	2.9114	2.5898	3.0826	1.7381		3.0459	2.5013
H11	1.0869	2.1516	2.0668	2.7708	3.0826	2.5898	2.9114	2.3835	2.5013	3.0459		1.7381
H12	1.0869	2.1516	2.0668	2.7708	2.5898	3.0826	2.3835	2.9114	3.0459	2.5013	1.7381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.455	C1	C2	H9	109.373
C1	C2	H10	109.373	C1	N3	H7	110.947
C1	N3	H8	110.947	C2	C1	N3	115.455
C2	C1	H11	109.373	C2	C1	H12	109.373
C2	N4	H5	110.947	C2	N4	H6	110.947
N3	C1	H11	108.028	N3	C1	H12	108.028
N4	C2	H9	108.028	N4	C2	H10	108.028
H5	N4	H6	107.169	H7	N3	H8	107.169
H9	C2	H10	106.177	H11	C1	H12	106.177

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/6-311G*

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	-0.221
2	C	-0.221
3	N	-0.815
4	N	-0.815
5	H	0.325
6	H	0.325
7	H	0.325
8	H	0.325
9	H	0.193
10	H	0.193
11	H	0.193
12	H	0.193

	x	y	z
x	5.251	-0.532	0.000
y	-0.532	5.489	0.000
z	0.000	0.000	5.214

<r²>	106.059
(<r²>)^1/2	10.299

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)