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	hartrees
Energy at 0K	-190.551783
Energy at 298.15K	-190.561892
Nuclear repulsion energy	131.074694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3479	3376	0.00
2	A_g	3015	2926	0.00
3	A_g	1644	1595	0.00
4	A_g	1463	1419	0.00
5	A_g	1380	1339	0.00
6	A_g	1104	1071	0.00
7	A_g	1047	1016	0.00
8	A_g	802	778	0.00
9	A_g	455	442	0.00
10	A_u	3560	3455	1.19
11	A_u	3073	2982	68.36
12	A_u	1379	1338	0.98
13	A_u	1064	1032	0.30
14	A_u	752	730	0.52
15	A_u	244	237	91.11
16	A_u	139	135	0.03
17	B_g	3561	3455	0.00
18	B_g	3046	2956	0.00
19	B_g	1357	1317	0.00
20	B_g	1286	1248	0.00
21	B_g	936	909	0.00
22	B_g	278	270	0.00
23	B_u	3479	3376	3.92
24	B_u	3023	2933	87.90
25	B_u	1644	1595	43.99
26	B_u	1478	1434	1.08
27	B_u	1312	1273	14.93
28	B_u	1075	1043	28.44
29	B_u	835	810	341.31
30	B_u	275	267	17.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.659	0.000
C2	-0.399	-0.659	0.000
N3	-0.399	1.888	0.000
N4	0.399	-1.888	0.000
H5	1.005	-1.928	0.817
H6	1.005	-1.928	-0.817
H7	-1.005	1.928	0.817
H8	-1.005	1.928	-0.817
H9	-1.059	-0.683	-0.882
H10	-1.059	-0.683	0.882
H11	1.059	0.683	-0.882
H12	1.059	0.683	0.882

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5401	1.4655	2.5468	2.7798	2.7798	2.0618	2.0618	2.1686	2.1686	1.1019	1.1019
C2	1.5401		2.5468	1.4655	2.0618	2.0618	2.7798	2.7798	1.1019	1.1019	2.1686	2.1686
N3	1.4655	2.5468		3.8595	4.1477	4.1477	1.0182	1.0182	2.7972	2.7972	2.0868	2.0868
N4	2.5468	1.4655	3.8595		1.0182	1.0182	4.1477	4.1477	2.0868	2.0868	2.7972	2.7972
H5	2.7798	2.0618	4.1477	1.0182		1.6335	4.3493	4.6459	2.9491	2.4114	3.1158	2.6126
H6	2.7798	2.0618	4.1477	1.0182	1.6335		4.6459	4.3493	2.4114	2.9491	2.6126	3.1158
H7	2.0618	2.7798	1.0182	4.1477	4.3493	4.6459		1.6335	3.1158	2.6126	2.9491	2.4114
H8	2.0618	2.7798	1.0182	4.1477	4.6459	4.3493	1.6335		2.6126	3.1158	2.4114	2.9491
H9	2.1686	1.1019	2.7972	2.0868	2.9491	2.4114	3.1158	2.6126		1.7645	2.5196	3.0760
H10	2.1686	1.1019	2.7972	2.0868	2.4114	2.9491	2.6126	3.1158	1.7645		3.0760	2.5196
H11	1.1019	2.1686	2.0868	2.7972	3.1158	2.6126	2.9491	2.4114	2.5196	3.0760		1.7645
H12	1.1019	2.1686	2.0868	2.7972	2.6126	3.1158	2.4114	2.9491	3.0760	2.5196	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.826	C1	C2	H9	109.207
C1	C2	H10	109.207	C1	N3	H7	110.939
C1	N3	H8	110.939	C2	C1	N3	115.826
C2	C1	H11	109.207	C2	C1	H12	109.207
C2	N4	H5	110.939	C2	N4	H6	110.939
N3	C1	H11	107.901	N3	C1	H12	107.901
N4	C2	H9	107.901	N4	C2	H10	107.901
H5	N4	H6	106.672	H7	N3	H8	106.672
H9	C2	H10	106.389	H11	C1	H12	106.389

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3LYP/aug-cc-pVDZ

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	1.036
2	C	1.036
3	N	-0.152
4	N	-0.152
5	H	-0.082
6	H	-0.082
7	H	-0.082
8	H	-0.082
9	H	-0.360
10	H	-0.360
11	H	-0.360
12	H	-0.360

	x	y	z
x	7.131	-0.368	0.000
y	-0.368	8.190	0.000
z	0.000	0.000	6.396

<r²>	108.116
(<r²>)^1/2	10.398

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)