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	hartrees
Energy at 0K	-190.297737
Energy at 298.15K	-190.307987
Nuclear repulsion energy	131.796273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3502	3330	0.00
2	A_g	3044	2895	0.00
3	A_g	1709	1625	0.00
4	A_g	1506	1432	0.00
5	A_g	1421	1352	0.00
6	A_g	1149	1093	0.00
7	A_g	1084	1031	0.00
8	A_g	868	825	0.00
9	A_g	464	441	0.00
10	A_u	3591	3415	0.12
11	A_u	3106	2954	75.61
12	A_u	1419	1349	2.24
13	A_u	1089	1036	0.32
14	A_u	762	725	0.82
15	A_u	278	264	126.27
16	A_u	152	144	0.05
17	B_g	3592	3416	0.00
18	B_g	3079	2928	0.00
19	B_g	1394	1325	0.00
20	B_g	1320	1255	0.00
21	B_g	956	909	0.00
22	B_g	316	301	0.00
23	B_u	3501	3330	1.94
24	B_u	3052	2903	92.96
25	B_u	1707	1624	49.82
26	B_u	1524	1449	0.98
27	B_u	1344	1278	26.85
28	B_u	1124	1069	11.77
29	B_u	904	860	434.68
30	B_u	268	255	21.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.657	0.000
C2	-0.395	-0.657	0.000
N3	-0.395	1.879	0.000
N4	0.395	-1.879	0.000
H5	1.008	-1.891	0.812
H6	1.008	-1.891	-0.812
H7	-1.008	1.891	0.812
H8	-1.008	1.891	-0.812
H9	-1.057	-0.679	-0.878
H10	-1.057	-0.679	0.878
H11	1.057	0.679	-0.878
H12	1.057	0.679	0.878

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5332	1.4553	2.5360	2.7432	2.7432	2.0370	2.0370	2.1590	2.1590	1.0992	1.0992
C2	1.5332		2.5360	1.4553	2.0370	2.0370	2.7432	2.7432	1.0992	1.0992	2.1590	2.1590
N3	1.4553	2.5360		3.8403	4.1034	4.1034	1.0172	1.0172	2.7838	2.7838	2.0782	2.0782
N4	2.5360	1.4553	3.8403		1.0172	1.0172	4.1034	4.1034	2.0782	2.0782	2.7838	2.7838
H5	2.7432	2.0370	4.1034	1.0172		1.6241	4.2849	4.5824	2.9301	2.3947	3.0755	2.5706
H6	2.7432	2.0370	4.1034	1.0172	1.6241		4.5824	4.2849	2.3947	2.9301	2.5706	3.0755
H7	2.0370	2.7432	1.0172	4.1034	4.2849	4.5824		1.6241	3.0755	2.5706	2.9301	2.3947
H8	2.0370	2.7432	1.0172	4.1034	4.5824	4.2849	1.6241		2.5706	3.0755	2.3947	2.9301
H9	2.1590	1.0992	2.7838	2.0782	2.9301	2.3947	3.0755	2.5706		1.7552	2.5116	3.0641
H10	2.1590	1.0992	2.7838	2.0782	2.3947	2.9301	2.5706	3.0755	1.7552		3.0641	2.5116
H11	1.0992	2.1590	2.0782	2.7838	3.0755	2.5706	2.9301	2.3947	2.5116	3.0641		1.7552
H12	1.0992	2.1590	2.0782	2.7838	2.5706	3.0755	2.3947	2.9301	3.0641	2.5116	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.091	C1	C2	H9	109.091
C1	C2	H10	109.091	C1	N3	H7	109.668
C1	N3	H8	109.668	C2	C1	N3	116.091
C2	C1	H11	109.091	C2	C1	H12	109.091
C2	N4	H5	109.668	C2	N4	H6	109.668
N3	C1	H11	108.073	N3	C1	H12	108.073
N4	C2	H9	108.073	N4	C2	H10	108.073
H5	N4	H6	105.935	H7	N3	H8	105.935
H9	C2	H10	105.952	H11	C1	H12	105.952

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HSEh1PBE/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	-0.209
2	C	-0.209
3	N	-0.737
4	N	-0.737
5	H	0.313
6	H	0.313
7	H	0.313
8	H	0.313
9	H	0.160
10	H	0.160
11	H	0.160
12	H	0.160

	x	y	z
x	5.222	-0.701	0.000
y	-0.701	5.625	0.000
z	0.000	0.000	5.254

<r²>	106.224
(<r²>)^1/2	10.307

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)