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	hartrees
Energy at 0K	-190.379966
Energy at 298.15K	-190.390125
HF Energy	-190.379966
Nuclear repulsion energy	132.130493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3520	3383	0.00
2	A_g	3020	2902	0.00
3	A_g	1662	1597	0.00
4	A_g	1476	1419	0.00
5	A_g	1395	1341	0.00
6	A_g	1130	1086	0.00
7	A_g	1072	1030	0.00
8	A_g	829	797	0.00
9	A_g	460	442	0.00
10	A_u	3600	3460	0.72
11	A_u	3077	2957	67.10
12	A_u	1394	1340	1.35
13	A_u	1073	1031	0.15
14	A_u	756	727	0.94
15	A_u	247	238	93.87
16	A_u	148	142	0.01
17	B_g	3601	3461	0.00
18	B_g	3047	2929	0.00
19	B_g	1372	1319	0.00
20	B_g	1300	1250	0.00
21	B_g	942	905	0.00
22	B_g	281	270	0.00
23	B_u	3519	3382	1.62
24	B_u	3029	2911	90.02
25	B_u	1661	1596	45.88
26	B_u	1495	1437	1.28
27	B_u	1326	1274	17.84
28	B_u	1105	1062	20.40
29	B_u	861	828	388.66
30	B_u	267	256	18.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.654	0.000
C2	-0.395	-0.654	0.000
N3	-0.395	1.873	0.000
N4	0.395	-1.873	0.000
H5	1.000	-1.901	0.811
H6	1.000	-1.901	-0.811
H7	-1.000	1.901	0.811
H8	-1.000	1.901	-0.811
H9	-1.055	-0.672	-0.874
H10	-1.055	-0.672	0.874
H11	1.055	0.672	-0.874
H12	1.055	0.672	0.874

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5276	1.4529	2.5271	2.7477	2.7477	2.0393	2.0393	2.1500	2.1500	1.0955	1.0955
C2	1.5276		2.5271	1.4529	2.0393	2.0393	2.7477	2.7477	1.0955	1.0955	2.1500	2.1500
N3	1.4529	2.5271		3.8290	4.1046	4.1046	1.0123	1.0123	2.7706	2.7706	2.0761	2.0761
N4	2.5271	1.4529	3.8290		1.0123	1.0123	4.1046	4.1046	2.0761	2.0761	2.7706	2.7706
H5	2.7477	2.0393	4.1046	1.0123		1.6217	4.2959	4.5918	2.9281	2.3954	3.0757	2.5738
H6	2.7477	2.0393	4.1046	1.0123	1.6217		4.5918	4.2959	2.3954	2.9281	2.5738	3.0757
H7	2.0393	2.7477	1.0123	4.1046	4.2959	4.5918		1.6217	3.0757	2.5738	2.9281	2.3954
H8	2.0393	2.7477	1.0123	4.1046	4.5918	4.2959	1.6217		2.5738	3.0757	2.3954	2.9281
H9	2.1500	1.0955	2.7706	2.0761	2.9281	2.3954	3.0757	2.5738		1.7486	2.5008	3.0515
H10	2.1500	1.0955	2.7706	2.0761	2.3954	2.9281	2.5738	3.0757	1.7486		3.0515	2.5008
H11	1.0955	2.1500	2.0761	2.7706	3.0757	2.5738	2.9281	2.3954	2.5008	3.0515		1.7486
H12	1.0955	2.1500	2.0761	2.7706	2.5738	3.0757	2.3954	2.9281	3.0515	2.5008	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.941	C1	C2	H9	108.984
C1	C2	H10	108.984	C1	N3	H7	110.356
C1	N3	H8	110.356	C2	C1	N3	115.941
C2	C1	H11	108.984	C2	C1	H12	108.984
C2	N4	H5	110.356	C2	N4	H6	110.356
N3	C1	H11	108.286	N3	C1	H12	108.286
N4	C2	H9	108.286	N4	C2	H10	108.286
H5	N4	H6	106.457	H7	N3	H8	106.457
H9	C2	H10	105.897	H11	C1	H12	105.897

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.102
2	C	-0.102
3	N	-0.308
4	N	-0.308
5	H	0.125
6	H	0.125
7	H	0.125
8	H	0.125
9	H	0.080
10	H	0.080
11	H	0.080
12	H	0.080

	x	y	z
x	6.251	-0.508	0.000
y	-0.508	6.854	0.000
z	0.000	0.000	5.871

<r²>	105.933
(<r²>)^1/2	10.292

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)