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	hartrees
Energy at 0K	-189.352646
Energy at 298.15K	-189.362681
Nuclear repulsion energy	130.824265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3443	3294	0.00
2	A_g	3051	2918	0.00
3	A_g	1720	1645	0.00
4	A_g	1525	1459	0.00
5	A_g	1395	1334	0.00
6	A_g	1106	1058	0.00
7	A_g	1009	965	0.00
8	A_g	668	639	0.00
9	A_g	453	434	0.00
10	A_u	3545	3392	0.33
11	A_u	3118	2983	61.52
12	A_u	1403	1342	3.27
13	A_u	1090	1043	0.03
14	A_u	753	721	1.98
15	A_u	274	262	138.03
16	A_u	150	143	0.45
17	B_g	3546	3392	0.00
18	B_g	3087	2953	0.00
19	B_g	1386	1326	0.00
20	B_g	1316	1259	0.00
21	B_g	941	900	0.00
22	B_g	302	289	0.00
23	B_u	3442	3293	1.91
24	B_u	3060	2928	77.77
25	B_u	1720	1646	43.29
26	B_u	1542	1475	3.01
27	B_u	1338	1280	3.60
28	B_u	1086	1039	10.67
29	B_u	677	648	576.39
30	B_u	248	237	22.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	0.658	0.000
C2	-0.405	-0.658	0.000
N3	-0.405	1.885	0.000
N4	0.405	-1.885	0.000
H5	0.985	-1.965	0.836
H6	0.985	-1.965	-0.836
H7	-0.985	1.965	0.836
H8	-0.985	1.965	-0.836
H9	-1.056	-0.674	-0.882
H10	-1.056	-0.674	0.882
H11	1.056	0.674	-0.882
H12	1.056	0.674	0.882

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5451	1.4707	2.5424	2.8128	2.8128	2.0835	2.0835	2.1651	2.1651	1.0961	1.0961
C2	1.5451		2.5424	1.4707	2.0835	2.0835	2.8128	2.8128	1.0961	1.0961	2.1651	2.1651
N3	1.4707	2.5424		3.8557	4.1774	4.1774	1.0207	1.0207	2.7839	2.7839	2.0925	2.0925
N4	2.5424	1.4707	3.8557		1.0207	1.0207	4.1774	4.1774	2.0925	2.0925	2.7839	2.7839
H5	2.8128	2.0835	4.1774	1.0207		1.6724	4.3956	4.7030	2.9637	2.4154	3.1496	2.6402
H6	2.8128	2.0835	4.1774	1.0207	1.6724		4.7030	4.3956	2.4154	2.9637	2.6402	3.1496
H7	2.0835	2.8128	1.0207	4.1774	4.3956	4.7030		1.6724	3.1496	2.6402	2.9637	2.4154
H8	2.0835	2.8128	1.0207	4.1774	4.7030	4.3956	1.6724		2.6402	3.1496	2.4154	2.9637
H9	2.1651	1.0961	2.7839	2.0925	2.9637	2.4154	3.1496	2.6402		1.7635	2.5061	3.0644
H10	2.1651	1.0961	2.7839	2.0925	2.4154	2.9637	2.6402	3.1496	1.7635		3.0644	2.5061
H11	1.0961	2.1651	2.0925	2.7839	3.1496	2.6402	2.9637	2.4154	2.5061	3.0644		1.7635
H12	1.0961	2.1651	2.0925	2.7839	2.6402	3.1496	2.4154	2.9637	3.0644	2.5061	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	114.906	C1	C2	H9	108.934
C1	C2	H10	108.934	C1	N3	H7	112.235
C1	N3	H8	112.235	C2	C1	N3	114.906
C2	C1	H11	108.934	C2	C1	H12	108.934
C2	N4	H5	112.235	C2	N4	H6	112.235
N3	C1	H11	108.337	N3	C1	H12	108.337
N4	C2	H9	108.337	N4	C2	H10	108.337
H5	N4	H6	110.007	H7	N3	H8	110.007
H9	C2	H10	107.121	H11	C1	H12	107.121

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B1B95/3-21G

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	-0.283
2	C	-0.283
3	N	-0.681
4	N	-0.681
5	H	0.275
6	H	0.275
7	H	0.275
8	H	0.275
9	H	0.208
10	H	0.208
11	H	0.208
12	H	0.208

	x	y	z
x	4.636	-0.870	0.000
y	-0.870	5.011	0.000
z	0.000	0.000	4.942

<r²>	107.546
(<r²>)^1/2	10.370

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)