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	hartrees
Energy at 0K	-190.409913
Energy at 298.15K	-190.420059
HF Energy	-190.409913
Nuclear repulsion energy	129.957934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3317	3290	0.00
2	A_g	2938	2914	0.00
3	A_g	1659	1645	0.00
4	A_g	1468	1456	0.00
5	A_g	1372	1360	0.00
6	A_g	1093	1084	0.00
7	A_g	999	991	0.00
8	A_g	842	835	0.00
9	A_g	439	435	0.00
10	A_u	3399	3372	8.46
11	A_u	2993	2969	84.97
12	A_u	1378	1367	2.41
13	A_u	1064	1055	0.47
14	A_u	746	740	0.60
15	A_u	285	282	112.19
16	A_u	144	143	0.02
17	B_g	3400	3372	0.00
18	B_g	2965	2941	0.00
19	B_g	1356	1345	0.00
20	B_g	1282	1272	0.00
21	B_g	932	924	0.00
22	B_g	323	320	0.00
23	B_u	3317	3290	12.12
24	B_u	2946	2922	97.27
25	B_u	1657	1644	33.17
26	B_u	1488	1476	0.33
27	B_u	1310	1300	32.90
28	B_u	1048	1040	7.60
29	B_u	885	878	381.79
30	B_u	258	256	17.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.670	0.000
C2	-0.398	-0.670	0.000
N3	-0.398	1.914	0.000
N4	0.398	-1.914	0.000
H5	1.010	-1.945	0.822
H6	1.010	-1.945	-0.822
H7	-1.010	1.945	0.822
H8	-1.010	1.945	-0.822
H9	-1.062	-0.691	-0.884
H10	-1.062	-0.691	0.884
H11	1.062	0.691	-0.884
H12	1.062	0.691	0.884

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5582	1.4765	2.5835	2.8083	2.8083	2.0698	2.0698	2.1826	2.1826	1.1061	1.1061
C2	1.5582		2.5835	1.4765	2.0698	2.0698	2.8083	2.8083	1.1061	1.1061	2.1826	2.1826
N3	1.4765	2.5835		3.9091	4.1887	4.1887	1.0256	1.0256	2.8292	2.8292	2.0999	2.0999
N4	2.5835	1.4765	3.9091		1.0256	1.0256	4.1887	4.1887	2.0999	2.0999	2.8292	2.8292
H5	2.8083	2.0698	4.1887	1.0256		1.6438	4.3831	4.6812	2.9630	2.4234	3.1397	2.6365
H6	2.8083	2.0698	4.1887	1.0256	1.6438		4.6812	4.3831	2.4234	2.9630	2.6365	3.1397
H7	2.0698	2.8083	1.0256	4.1887	4.3831	4.6812		1.6438	3.1397	2.6365	2.9630	2.4234
H8	2.0698	2.8083	1.0256	4.1887	4.6812	4.3831	1.6438		2.6365	3.1397	2.4234	2.9630
H9	2.1826	1.1061	2.8292	2.0999	2.9630	2.4234	3.1397	2.6365		1.7683	2.5338	3.0898
H10	2.1826	1.1061	2.8292	2.0999	2.4234	2.9630	2.6365	3.1397	1.7683		3.0898	2.5338
H11	1.1061	2.1826	2.0999	2.8292	3.1397	2.6365	2.9630	2.4234	2.5338	3.0898		1.7683
H12	1.1061	2.1826	2.0999	2.8292	2.6365	3.1397	2.4234	2.9630	3.0898	2.5338	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.684	C1	C2	H9	108.830
C1	C2	H10	108.830	C1	N3	H7	110.330
C1	N3	H8	110.330	C2	C1	N3	116.684
C2	C1	H11	108.830	C2	C1	H12	108.830
C2	N4	H5	110.330	C2	N4	H6	110.330
N3	C1	H11	107.934	N3	C1	H12	107.934
N4	C2	H9	107.934	N4	C2	H10	107.934
H5	N4	H6	106.533	H7	N3	H8	106.533
H9	C2	H10	106.133	H11	C1	H12	106.133

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: BLYP/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	-0.132
2	C	-0.132
3	N	-0.653
4	N	-0.653
5	H	0.275
6	H	0.275
7	H	0.275
8	H	0.275
9	H	0.118
10	H	0.118
11	H	0.118
12	H	0.118

	x	y	z
x	5.453	-0.781	0.000
y	-0.781	6.024	0.000
z	0.000	0.000	5.469

<r²>	109.111
(<r²>)^1/2	10.446

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)