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	hartrees
Energy at 0K	-190.482023
Energy at 298.15K	-190.492263
Nuclear repulsion energy	131.870560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3537	3365	0.00
2	A_g	3045	2897	0.00
3	A_g	1682	1600	0.00
4	A_g	1496	1424	0.00
5	A_g	1416	1347	0.00
6	A_g	1143	1088	0.00
7	A_g	1075	1022	0.00
8	A_g	849	808	0.00
9	A_g	464	442	0.00
10	A_u	3627	3451	0.02
11	A_u	3108	2957	73.51
12	A_u	1409	1341	1.81
13	A_u	1082	1030	0.26
14	A_u	760	723	0.95
15	A_u	276	263	119.70
16	A_u	151	143	0.13
17	B_g	3627	3451	0.00
18	B_g	3081	2932	0.00
19	B_g	1385	1318	0.00
20	B_g	1312	1248	0.00
21	B_g	951	905	0.00
22	B_g	313	298	0.00
23	B_u	3536	3365	1.03
24	B_u	3053	2905	92.67
25	B_u	1680	1599	47.92
26	B_u	1513	1440	0.81
27	B_u	1337	1272	24.20
28	B_u	1120	1065	14.76
29	B_u	880	837	428.26
30	B_u	268	255	19.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.657	0.000
C2	-0.395	-0.657	0.000
N3	-0.395	1.878	0.000
N4	0.395	-1.878	0.000
H5	1.004	-1.895	0.811
H6	1.004	-1.895	-0.811
H7	-1.004	1.895	0.811
H8	-1.004	1.895	-0.811
H9	-1.056	-0.677	-0.876
H10	-1.056	-0.677	0.876
H11	1.056	0.677	-0.876
H12	1.056	0.677	0.876

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5338	1.4547	2.5355	2.7467	2.7467	2.0372	2.0372	2.1575	2.1575	1.0974	1.0974
C2	1.5338		2.5355	1.4547	2.0372	2.0372	2.7467	2.7467	1.0974	1.0974	2.1575	2.1575
N3	1.4547	2.5355		3.8390	4.1058	4.1058	1.0146	1.0146	2.7811	2.7811	2.0777	2.0777
N4	2.5355	1.4547	3.8390		1.0146	1.0146	4.1058	4.1058	2.0777	2.0777	2.7811	2.7811
H5	2.7467	2.0372	4.1058	1.0146		1.6225	4.2899	4.5865	2.9285	2.3946	3.0767	2.5738
H6	2.7467	2.0372	4.1058	1.0146	1.6225		4.5865	4.2899	2.3946	2.9285	2.5738	3.0767
H7	2.0372	2.7467	1.0146	4.1058	4.2899	4.5865		1.6225	3.0767	2.5738	2.9285	2.3946
H8	2.0372	2.7467	1.0146	4.1058	4.5865	4.2899	1.6225		2.5738	3.0767	2.3946	2.9285
H9	2.1575	1.0974	2.7811	2.0777	2.9285	2.3946	3.0767	2.5738		1.7515	2.5095	3.0602
H10	2.1575	1.0974	2.7811	2.0777	2.3946	2.9285	2.5738	3.0767	1.7515		3.0602	2.5095
H11	1.0974	2.1575	2.0777	2.7811	3.0767	2.5738	2.9285	2.3946	2.5095	3.0602		1.7515
H12	1.0974	2.1575	2.0777	2.7811	2.5738	3.0767	2.3946	2.9285	3.0602	2.5095	1.7515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.053	C1	C2	H9	109.034
C1	C2	H10	109.034	C1	N3	H7	109.893
C1	N3	H8	109.893	C2	C1	N3	116.053
C2	C1	H11	109.034	C2	C1	H12	109.034
C2	N4	H5	109.893	C2	N4	H6	109.893
N3	C1	H11	108.181	N3	C1	H12	108.181
N4	C2	H9	108.181	N4	C2	H10	108.181
H5	N4	H6	106.182	H7	N3	H8	106.182
H9	C2	H10	105.884	H11	C1	H12	105.884

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: mPW1PW91/6-31G**

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	-0.129
2	C	-0.129
3	N	-0.631
4	N	-0.631
5	H	0.256
6	H	0.256
7	H	0.256
8	H	0.256
9	H	0.124
10	H	0.124
11	H	0.124
12	H	0.124

	x	y	z
x	5.276	-0.697	0.000
y	-0.697	5.693	0.000
z	0.000	0.000	5.295

<r²>	106.065
(<r²>)^1/2	10.299

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)