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	hartrees
Energy at 0K	-190.475213
Energy at 298.15K	-190.485335
HF Energy	-190.475213
Nuclear repulsion energy	131.057059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3418	3369	0.00
2	A_g	2955	2912	0.00
3	A_g	1641	1618	0.00
4	A_g	1452	1431	0.00
5	A_g	1371	1351	0.00
6	A_g	1080	1064	0.00
7	A_g	1009	995	0.00
8	A_g	807	795	0.00
9	A_g	448	441	0.00
10	A_u	3503	3452	0.45
11	A_u	3013	2970	83.79
12	A_u	1375	1355	1.61
13	A_u	1066	1050	0.23
14	A_u	751	740	0.26
15	A_u	264	260	106.49
16	A_u	141	139	0.11
17	B_g	3503	3453	0.00
18	B_g	2984	2941	0.00
19	B_g	1352	1333	0.00
20	B_g	1280	1262	0.00
21	B_g	934	920	0.00
22	B_g	299	295	0.00
23	B_u	3418	3369	4.48
24	B_u	2964	2922	103.89
25	B_u	1641	1617	47.99
26	B_u	1470	1449	0.77
27	B_u	1312	1293	21.48
28	B_u	1047	1032	12.76
29	B_u	842	829	400.06
30	B_u	265	261	20.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.660	0.000
C2	-0.398	-0.660	0.000
N3	-0.398	1.892	0.000
N4	0.398	-1.892	0.000
H5	1.007	-1.915	0.816
H6	1.007	-1.915	-0.816
H7	-1.007	1.915	0.816
H8	-1.007	1.915	-0.816
H9	-1.058	-0.680	-0.880
H10	-1.058	-0.680	0.880
H11	1.058	0.680	-0.880
H12	1.058	0.680	0.880

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5422	1.4672	2.5527	2.7694	2.7694	2.0532	2.0532	2.1658	2.1658	1.0997	1.0997
C2	1.5422		2.5527	1.4672	2.0532	2.0532	2.7694	2.7694	1.0997	1.0997	2.1658	2.1658
N3	1.4672	2.5527		3.8678	4.1400	4.1400	1.0180	1.0180	2.7974	2.7974	2.0893	2.0893
N4	2.5527	1.4672	3.8678		1.0180	1.0180	4.1400	4.1400	2.0893	2.0893	2.7974	2.7974
H5	2.7694	2.0532	4.1400	1.0180		1.6313	4.3279	4.6251	2.9437	2.4075	3.1001	2.5964
H6	2.7694	2.0532	4.1400	1.0180	1.6313		4.6251	4.3279	2.4075	2.9437	2.5964	3.1001
H7	2.0532	2.7694	1.0180	4.1400	4.3279	4.6251		1.6313	3.1001	2.5964	2.9437	2.4075
H8	2.0532	2.7694	1.0180	4.1400	4.6251	4.3279	1.6313		2.5964	3.1001	2.4075	2.9437
H9	2.1658	1.0997	2.7974	2.0893	2.9437	2.4075	3.1001	2.5964		1.7590	2.5155	3.0695
H10	2.1658	1.0997	2.7974	2.0893	2.4075	2.9437	2.5964	3.1001	1.7590		3.0695	2.5155
H11	1.0997	2.1658	2.0893	2.7974	3.1001	2.5964	2.9437	2.4075	2.5155	3.0695		1.7590
H12	1.0997	2.1658	2.0893	2.7974	2.5964	3.1001	2.4075	2.9437	3.0695	2.5155	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.018	C1	C2	H9	108.975
C1	C2	H10	108.975	C1	N3	H7	110.093
C1	N3	H8	110.093	C2	C1	N3	116.018
C2	C1	H11	108.975	C2	C1	H12	108.975
C2	N4	H5	110.093	C2	N4	H6	110.093
N3	C1	H11	108.111	N3	C1	H12	108.111
N4	C2	H9	108.111	N4	C2	H10	108.111
H5	N4	H6	106.487	H7	N3	H8	106.487
H9	C2	H10	106.215	H11	C1	H12	106.215

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B97D3/TZVP

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	-0.190
2	C	-0.190
3	N	-0.380
4	N	-0.380
5	H	0.187
6	H	0.187
7	H	0.187
8	H	0.187
9	H	0.098
10	H	0.098
11	H	0.098
12	H	0.098

	x	y	z
x	6.349	-0.491	0.000
y	-0.491	7.148	0.000
z	0.000	0.000	6.014

<r²>	107.862
(<r²>)^1/2	10.386

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)