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	hartrees
Energy at 0K	-190.487932
Energy at 298.15K	-190.498131
Nuclear repulsion energy	131.609412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3500	3369	0.00
2	A_g	3017	2905	0.00
3	A_g	1718	1654	0.00
4	A_g	1487	1431	0.00
5	A_g	1403	1351	0.00
6	A_g	1128	1086	0.00
7	A_g	1062	1023	0.00
8	A_g	848	817	0.00
9	A_g	456	439	0.00
10	A_u	3579	3445	1.29
11	A_u	3074	2959	87.23
12	A_u	1414	1361	2.76
13	A_u	1086	1046	0.13
14	A_u	753	725	0.64
15	A_u	268	258	118.08
16	A_u	146	141	0.33
17	B_g	3579	3446	0.00
18	B_g	3045	2931	0.00
19	B_g	1388	1336	0.00
20	B_g	1311	1262	0.00
21	B_g	950	914	0.00
22	B_g	304	292	0.00
23	B_u	3499	3369	5.60
24	B_u	3025	2912	106.20
25	B_u	1716	1652	64.06
26	B_u	1505	1449	2.52
27	B_u	1334	1284	21.20
28	B_u	1100	1059	12.85
29	B_u	886	853	459.29
30	B_u	264	254	20.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.658	0.000
C2	-0.395	-0.658	0.000
N3	-0.395	1.884	0.000
N4	0.395	-1.884	0.000
H5	1.002	-1.908	0.813
H6	1.002	-1.908	-0.813
H7	-1.002	1.908	0.813
H8	-1.002	1.908	-0.813
H9	-1.057	-0.681	-0.875
H10	-1.057	-0.681	0.875
H11	1.057	0.681	-0.875
H12	1.057	0.681	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5354	1.4583	2.5420	2.7598	2.7598	2.0435	2.0435	2.1609	2.1609	1.0977	1.0977
C2	1.5354		2.5420	1.4583	2.0435	2.0435	2.7598	2.7598	1.0977	1.0977	2.1609	2.1609
N3	1.4583	2.5420		3.8497	4.1223	4.1223	1.0149	1.0149	2.7901	2.7901	2.0787	2.0787
N4	2.5420	1.4583	3.8497		1.0149	1.0149	4.1223	4.1223	2.0787	2.0787	2.7901	2.7901
H5	2.7598	2.0435	4.1223	1.0149		1.6263	4.3107	4.6072	2.9319	2.3977	3.0919	2.5909
H6	2.7598	2.0435	4.1223	1.0149	1.6263		4.6072	4.3107	2.3977	2.9319	2.5909	3.0919
H7	2.0435	2.7598	1.0149	4.1223	4.3107	4.6072		1.6263	3.0919	2.5909	2.9319	2.3977
H8	2.0435	2.7598	1.0149	4.1223	4.6072	4.3107	1.6263		2.5909	3.0919	2.3977	2.9319
H9	2.1609	1.0977	2.7901	2.0787	2.9319	2.3977	3.0919	2.5909		1.7506	2.5153	3.0645
H10	2.1609	1.0977	2.7901	2.0787	2.3977	2.9319	2.5909	3.0919	1.7506		3.0645	2.5153
H11	1.0977	2.1609	2.0787	2.7901	3.0919	2.5909	2.9319	2.3977	2.5153	3.0645		1.7506
H12	1.0977	2.1609	2.0787	2.7901	2.5909	3.0919	2.3977	2.9319	3.0645	2.5153	1.7506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.210	C1	C2	H9	109.175
C1	C2	H10	109.175	C1	N3	H7	110.136
C1	N3	H8	110.136	C2	C1	N3	116.210
C2	C1	H11	109.175	C2	C1	H12	109.175
C2	N4	H5	110.136	C2	N4	H6	110.136
N3	C1	H11	108.005	N3	C1	H12	108.005
N4	C2	H9	108.005	N4	C2	H10	108.005
H5	N4	H6	106.487	H7	N3	H8	106.487
H9	C2	H10	105.768	H11	C1	H12	105.768

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3PW91/6-311G*

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	-0.306
2	C	-0.306
3	N	-0.738
4	N	-0.738
5	H	0.316
6	H	0.316
7	H	0.316
8	H	0.316
9	H	0.207
10	H	0.207
11	H	0.207
12	H	0.207

	x	y	z
x	5.696	-0.550	0.000
y	-0.550	6.159	0.000
z	0.000	0.000	5.523

<r²>	106.889
(<r²>)^1/2	10.339

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)