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	hartrees
Energy at 0K	-190.327638
Energy at 298.15K	-190.337788
HF Energy	-190.327638
Nuclear repulsion energy	131.739849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3547	3386	0.00
2	A_g	3040	2902	0.00
3	A_g	1674	1599	0.00
4	A_g	1481	1414	0.00
5	A_g	1404	1341	0.00
6	A_g	1133	1082	0.00
7	A_g	1066	1018	0.00
8	A_g	804	767	0.00
9	A_g	464	443	0.00
10	A_u	3642	3477	4.27
11	A_u	3104	2964	69.91
12	A_u	1396	1333	0.87
13	A_u	1070	1022	0.25
14	A_u	755	721	0.43
15	A_u	257	245	120.53
16	A_u	148	141	0.09
17	B_g	3642	3478	0.00
18	B_g	3076	2937	0.00
19	B_g	1372	1310	0.00
20	B_g	1301	1242	0.00
21	B_g	942	899	0.00
22	B_g	289	276	0.00
23	B_u	3546	3386	0.91
24	B_u	3047	2910	92.70
25	B_u	1674	1598	68.36
26	B_u	1498	1430	1.67
27	B_u	1329	1269	18.16
28	B_u	1113	1062	33.07
29	B_u	831	794	428.58
30	B_u	272	260	22.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.396	0.657	0.000
C2	-0.396	-0.657	0.000
N3	-0.396	1.877	0.000
N4	0.396	-1.877	0.000
H5	0.994	-1.927	0.818
H6	0.994	-1.927	-0.818
H7	-0.994	1.927	0.818
H8	-0.994	1.927	-0.818
H9	-1.056	-0.679	-0.877
H10	-1.056	-0.679	0.877
H11	1.056	0.679	-0.877
H12	1.056	0.679	0.877

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5338	1.4539	2.5341	2.7760	2.7760	2.0524	2.0524	2.1589	2.1589	1.0984	1.0984
C2	1.5338		2.5341	1.4539	2.0524	2.0524	2.7760	2.7760	1.0984	1.0984	2.1589	2.1589
N3	1.4539	2.5341		3.8364	4.1318	4.1318	1.0144	1.0144	2.7815	2.7815	2.0769	2.0769
N4	2.5341	1.4539	3.8364		1.0144	1.0144	4.1318	4.1318	2.0769	2.0769	2.7815	2.7815
H5	2.7760	2.0524	4.1318	1.0144		1.6355	4.3369	4.6351	2.9384	2.4011	3.1093	2.6074
H6	2.7760	2.0524	4.1318	1.0144	1.6355		4.6351	4.3369	2.4011	2.9384	2.6074	3.1093
H7	2.0524	2.7760	1.0144	4.1318	4.3369	4.6351		1.6355	3.1093	2.6074	2.9384	2.4011
H8	2.0524	2.7760	1.0144	4.1318	4.6351	4.3369	1.6355		2.6074	3.1093	2.4011	2.9384
H9	2.1589	1.0984	2.7815	2.0769	2.9384	2.4011	3.1093	2.6074		1.7543	2.5109	3.0630
H10	2.1589	1.0984	2.7815	2.0769	2.4011	2.9384	2.6074	3.1093	1.7543		3.0630	2.5109
H11	1.0984	2.1589	2.0769	2.7815	3.1093	2.6074	2.9384	2.4011	2.5109	3.0630		1.7543
H12	1.0984	2.1589	2.0769	2.7815	2.6074	3.1093	2.4011	2.9384	3.0630	2.5109	1.7543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.994	C1	C2	H9	109.086
C1	C2	H10	109.086	C1	N3	H7	111.254
C1	N3	H8	111.254	C2	C1	N3	115.994
C2	C1	H11	109.086	C2	C1	H12	109.086
C2	N4	H5	111.254	C2	N4	H6	111.254
N3	C1	H11	108.114	N3	C1	H12	108.114
N4	C2	H9	108.114	N4	C2	H10	108.114
H5	N4	H6	107.446	H7	N3	H8	107.446
H9	C2	H10	105.986	H11	C1	H12	105.986

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.277
2	C	-0.277
3	N	-0.630
4	N	-0.630
5	H	0.297
6	H	0.297
7	H	0.297
8	H	0.297
9	H	0.157
10	H	0.157
11	H	0.157
12	H	0.157

	x	y	z
x	6.378	-0.298	0.000
y	-0.298	7.206	0.000
z	0.000	0.000	5.733

<r²>	107.096
(<r²>)^1/2	10.349

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)