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	hartrees
Energy at 0K	-189.290399
Energy at 298.15K	-189.300909
Nuclear repulsion energy	132.345525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3707	3366	0.00
2	A_g	3165	2874	0.00
3	A_g	1791	1627	0.00
4	A_g	1591	1445	0.00
5	A_g	1534	1393	0.00
6	A_g	1202	1091	0.00
7	A_g	1158	1052	0.00
8	A_g	933	847	0.00
9	A_g	496	450	0.00
10	A_u	3783	3435	0.65
11	A_u	3219	2923	111.18
12	A_u	1505	1367	1.15
13	A_u	1148	1043	0.43
14	A_u	814	739	0.18
15	A_u	293	266	104.73
16	A_u	159	144	0.91
17	B_g	3784	3436	0.00
18	B_g	3188	2895	0.00
19	B_g	1479	1343	0.00
20	B_g	1401	1272	0.00
21	B_g	1016	923	0.00
22	B_g	324	294	0.00
23	B_u	3707	3366	0.42
24	B_u	3167	2875	122.56
25	B_u	1790	1625	47.01
26	B_u	1605	1458	0.61
27	B_u	1436	1304	42.66
28	B_u	1168	1061	32.36
29	B_u	979	889	381.03
30	B_u	302	275	17.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.654	0.000
C2	-0.397	-0.654	0.000
N3	-0.397	1.869	0.000
N4	0.397	-1.869	0.000
H5	1.002	-1.891	0.804
H6	1.002	-1.891	-0.804
H7	-1.002	1.891	0.804
H8	-1.002	1.891	-0.804
H9	-1.055	-0.675	-0.875
H10	-1.055	-0.675	0.875
H11	1.055	0.675	-0.875
H12	1.055	0.675	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5296	1.4515	2.5226	2.7361	2.7361	2.0330	2.0330	2.1538	2.1538	1.0948	1.0948
C2	1.5296		2.5226	1.4515	2.0330	2.0330	2.7361	2.7361	1.0948	1.0948	2.1538	2.1538
N3	1.4515	2.5226		3.8211	4.0910	4.0910	1.0066	1.0066	2.7696	2.7696	2.0731	2.0731
N4	2.5226	1.4515	3.8211		1.0066	1.0066	4.0910	4.0910	2.0731	2.0731	2.7696	2.7696
H5	2.7361	2.0330	4.0910	1.0066		1.6088	4.2791	4.5715	2.9200	2.3898	3.0669	2.5673
H6	2.7361	2.0330	4.0910	1.0066	1.6088		4.5715	4.2791	2.3898	2.9200	2.5673	3.0669
H7	2.0330	2.7361	1.0066	4.0910	4.2791	4.5715		1.6088	3.0669	2.5673	2.9200	2.3898
H8	2.0330	2.7361	1.0066	4.0910	4.5715	4.2791	1.6088		2.5673	3.0669	2.3898	2.9200
H9	2.1538	1.0948	2.7696	2.0731	2.9200	2.3898	3.0669	2.5673		1.7498	2.5047	3.0554
H10	2.1538	1.0948	2.7696	2.0731	2.3898	2.9200	2.5673	3.0669	1.7498		3.0554	2.5047
H11	1.0948	2.1538	2.0731	2.7696	3.0669	2.5673	2.9200	2.3898	2.5047	3.0554		1.7498
H12	1.0948	2.1538	2.0731	2.7696	2.5673	3.0669	2.3898	2.9200	3.0554	2.5047	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.576	C1	C2	H9	109.186
C1	C2	H10	109.186	C1	N3	H7	110.283
C1	N3	H8	110.283	C2	C1	N3	115.576
C2	C1	H11	109.186	C2	C1	H12	109.186
C2	N4	H5	110.283	C2	N4	H6	110.283
N3	C1	H11	108.190	N3	C1	H12	108.190
N4	C2	H9	108.190	N4	C2	H10	108.190
H5	N4	H6	106.085	H7	N3	H8	106.085
H9	C2	H10	106.096	H11	C1	H12	106.096

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/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	0.068
2	C	0.068
3	N	-0.284
4	N	-0.284
5	H	0.087
6	H	0.087
7	H	0.087
8	H	0.087
9	H	0.021
10	H	0.021
11	H	0.021
12	H	0.021

	x	y	z
x	5.252	-0.579	0.000
y	-0.579	5.410	0.000
z	0.000	0.000	5.176

<r²>	105.611
(<r²>)^1/2	10.277

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)