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	hartrees
Energy at 0K	-190.204358
Energy at 298.15K	-190.214222
Nuclear repulsion energy	130.129206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3452	3404	0.00
2	A_g	2954	2913	0.00
3	A_g	1665	1642	0.00
4	A_g	1471	1451	0.00
5	A_g	1368	1349	0.00
6	A_g	1101	1086	0.00
7	A_g	998	984	0.00
8	A_g	581	573	0.00
9	A_g	452	446	0.00
10	A_u	3570	3521	0.00
11	A_u	3025	2983	83.89
12	A_u	1357	1338	0.67
13	A_u	1049	1034	0.31
14	A_u	745	734	2.26
15	A_u	260	256	124.25
16	A_u	144	142	0.02
17	B_g	3570	3521	0.00
18	B_g	2994	2953	0.00
19	B_g	1343	1325	0.00
20	B_g	1274	1256	0.00
21	B_g	918	905	0.00
22	B_g	294	290	0.00
23	B_u	3451	3404	1.79
24	B_u	2963	2923	108.73
25	B_u	1666	1643	52.14
26	B_u	1489	1468	1.70
27	B_u	1314	1296	6.92
28	B_u	1088	1072	32.53
29	B_u	587	579	647.86
30	B_u	256	252	29.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	0.667	0.000
C2	-0.401	-0.667	0.000
N3	-0.401	1.894	0.000
N4	0.401	-1.894	0.000
H5	0.955	-2.040	0.845
H6	0.955	-2.040	-0.845
H7	-0.955	2.040	0.845
H8	-0.955	2.040	-0.845
H9	-1.066	-0.683	-0.886
H10	-1.066	-0.683	0.886
H11	1.066	0.683	-0.886
H12	1.066	0.683	0.886

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5557	1.4657	2.5609	2.8894	2.8894	2.1068	2.1068	2.1810	2.1810	1.1079	1.1079
C2	1.5557		2.5609	1.4657	2.1068	2.1068	2.8894	2.8894	1.1079	1.1079	2.1810	2.1810
N3	1.4657	2.5609		3.8720	4.2462	4.2462	1.0213	1.0213	2.8052	2.8052	2.0980	2.0980
N4	2.5609	1.4657	3.8720		1.0213	1.0213	4.2462	4.2462	2.0980	2.0980	2.8052	2.8052
H5	2.8894	2.1068	4.2462	1.0213		1.6899	4.5054	4.8119	2.9870	2.4349	3.2284	2.7256
H6	2.8894	2.1068	4.2462	1.0213	1.6899		4.8119	4.5054	2.4349	2.9870	2.7256	3.2284
H7	2.1068	2.8894	1.0213	4.2462	4.5054	4.8119		1.6899	3.2284	2.7256	2.9870	2.4349
H8	2.1068	2.8894	1.0213	4.2462	4.8119	4.5054	1.6899		2.7256	3.2284	2.4349	2.9870
H9	2.1810	1.1079	2.8052	2.0980	2.9870	2.4349	3.2284	2.7256		1.7713	2.5320	3.0901
H10	2.1810	1.1079	2.8052	2.0980	2.4349	2.9870	2.7256	3.2284	1.7713		3.0901	2.5320
H11	1.1079	2.1810	2.0980	2.8052	3.2284	2.7256	2.9870	2.4349	2.5320	3.0901		1.7713
H12	1.1079	2.1810	2.0980	2.8052	2.7256	3.2284	2.4349	2.9870	3.0901	2.5320	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.871	C1	C2	H9	108.776
C1	C2	H10	108.776	C1	N3	H7	114.620
C1	N3	H8	114.620	C2	C1	N3	115.871
C2	C1	H11	108.776	C2	C1	H12	108.776
C2	N4	H5	114.620	C2	N4	H6	114.620
N3	C1	H11	108.419	N3	C1	H12	108.419
N4	C2	H9	108.419	N4	C2	H10	108.419
H5	N4	H6	111.645	H7	N3	H8	111.645
H9	C2	H10	106.155	H11	C1	H12	106.155

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: PBEPBE/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	-0.176
2	C	-0.176
3	N	-0.676
4	N	-0.676
5	H	0.282
6	H	0.282
7	H	0.282
8	H	0.282
9	H	0.144
10	H	0.144
11	H	0.144
12	H	0.144

<r²>	109.291
(<r²>)^1/2	10.454

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)