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	hartrees
Energy at 0K	-189.546898
Energy at 298.15K	-189.556996
Nuclear repulsion energy	132.248905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3407	3375	0.00
2	A_g	2929	2901	0.00
3	A_g	1646	1631	0.00
4	A_g	1413	1400	0.00
5	A_g	1340	1327	0.00
6	A_g	1131	1120	0.00
7	A_g	1060	1050	0.00
8	A_g	799	792	0.00
9	A_g	454	450	0.00
10	A_u	3490	3456	0.00
11	A_u	2990	2961	65.34
12	A_u	1358	1345	4.95
13	A_u	1046	1036	0.02
14	A_u	734	727	1.34
15	A_u	258	255	122.19
16	A_u	151	150	0.01
17	B_g	3491	3457	0.00
18	B_g	2961	2933	0.00
19	B_g	1330	1318	0.00
20	B_g	1265	1253	0.00
21	B_g	918	909	0.00
22	B_g	304	301	0.00
23	B_u	3406	3373	3.33
24	B_u	2940	2912	95.55
25	B_u	1645	1629	73.34
26	B_u	1435	1421	4.12
27	B_u	1273	1260	14.26
28	B_u	1120	1109	18.74
29	B_u	822	814	496.93
30	B_u	249	247	26.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.391	0.652	0.000
C2	-0.391	-0.652	0.000
N3	-0.391	1.864	0.000
N4	0.391	-1.864	0.000
H5	1.000	-1.897	0.822
H6	1.000	-1.897	-0.822
H7	-1.000	1.897	0.822
H8	-1.000	1.897	-0.822
H9	-1.063	-0.666	-0.880
H10	-1.063	-0.666	0.880
H11	1.063	0.666	-0.880
H12	1.063	0.666	0.880

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5196	1.4421	2.5155	2.7461	2.7461	2.0395	2.0395	2.1504	2.1504	1.1076	1.1076
C2	1.5196		2.5155	1.4421	2.0395	2.0395	2.7461	2.7461	1.1076	1.1076	2.1504	2.1504
N3	1.4421	2.5155		3.8086	4.0927	4.0927	1.0240	1.0240	2.7615	2.7615	2.0792	2.0792
N4	2.5155	1.4421	3.8086		1.0240	1.0240	4.0927	4.0927	2.0792	2.0792	2.7615	2.7615
H5	2.7461	2.0395	4.0927	1.0240		1.6447	4.2880	4.5926	2.9443	2.4031	3.0769	2.5638
H6	2.7461	2.0395	4.0927	1.0240	1.6447		4.5926	4.2880	2.4031	2.9443	2.5638	3.0769
H7	2.0395	2.7461	1.0240	4.0927	4.2880	4.5926		1.6447	3.0769	2.5638	2.9443	2.4031
H8	2.0395	2.7461	1.0240	4.0927	4.5926	4.2880	1.6447		2.5638	3.0769	2.4031	2.9443
H9	2.1504	1.1076	2.7615	2.0792	2.9443	2.4031	3.0769	2.5638		1.7597	2.5092	3.0648
H10	2.1504	1.1076	2.7615	2.0792	2.4031	2.9443	2.5638	3.0769	1.7597		3.0648	2.5092
H11	1.1076	2.1504	2.0792	2.7615	3.0769	2.5638	2.9443	2.4031	2.5092	3.0648		1.7597
H12	1.1076	2.1504	2.0792	2.7615	2.5638	3.0769	2.4031	2.9443	3.0648	2.5092	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.256	C1	C2	H9	108.859
C1	C2	H10	108.859	C1	N3	H7	110.441
C1	N3	H8	110.441	C2	C1	N3	116.256
C2	C1	H11	108.859	C2	C1	H12	108.859
C2	N4	H5	110.441	C2	N4	H6	110.441
N3	C1	H11	108.557	N3	C1	H12	108.557
N4	C2	H9	108.557	N4	C2	H10	108.557
H5	N4	H6	106.846	H7	N3	H8	106.846
H9	C2	H10	105.188	H11	C1	H12	105.188

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: SVWN/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	-0.384
2	C	-0.384
3	N	-0.719
4	N	-0.719
5	H	0.325
6	H	0.325
7	H	0.325
8	H	0.325
9	H	0.227
10	H	0.227
11	H	0.227
12	H	0.227

	x	y	z
x	6.068	-0.544	0.000
y	-0.544	6.429	0.000
z	0.000	0.000	5.808

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: SVWN/6-311G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)