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	hartrees
Energy at 0K	-186.924796
Energy at 298.15K	-186.935074
Nuclear repulsion energy	130.430602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3898	3183	0.00
2	A_g	3592	2933	0.00
3	A_g	2026	1654	0.00
4	A_g	1804	1473	0.00
5	A_g	1701	1389	0.00
6	A_g	1331	1087	0.00
7	A_g	1250	1020	0.00
8	A_g	1055	862	0.00
9	A_g	504	412	0.00
10	A_u	4083	3334	8.78
11	A_u	3717	3035	3.94
12	A_u	1643	1341	2.46
13	A_u	1266	1033	2.82
14	A_u	875	714	0.48
15	A_u	296	242	119.32
16	A_u	121	98	0.37
17	B_g	4083	3334	0.00
18	B_g	3705	3025	0.00
19	B_g	1624	1326	0.00
20	B_g	1536	1254	0.00
21	B_g	1085	886	0.00
22	B_g	325	265	0.00
23	B_u	3897	3182	8.51
24	B_u	3595	2936	9.64
25	B_u	2025	1653	11.73
26	B_u	1820	1486	0.30
27	B_u	1566	1279	47.19
28	B_u	1295	1058	7.13
29	B_u	1128	921	207.22
30	B_u	310	253	17.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.411	0.662	0.000
C2	-0.411	-0.662	0.000
N3	-0.411	1.900	0.000
N4	0.411	-1.900	0.000
H5	1.042	-1.853	0.817
H6	1.042	-1.853	-0.817
H7	-1.042	1.853	0.817
H8	-1.042	1.853	-0.817
H9	-1.056	-0.685	0.880
H10	-1.056	-0.685	-0.880
H11	1.056	0.685	0.880
H12	1.056	0.685	-0.880

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5574	1.4859	2.5614	2.7183	2.7183	2.0487	2.0487	2.1764	2.1764	1.0913	1.0913
C2	1.5574		2.5614	1.4859	2.0487	2.0487	2.7183	2.7183	1.0913	1.0913	2.1764	2.1764
N3	1.4859	2.5614		3.8874	4.1062	4.1062	1.0335	1.0335	2.8053	2.8053	2.0979	2.0979
N4	2.5614	1.4859	3.8874		1.0335	1.0335	4.1062	4.1062	2.0979	2.0979	2.8053	2.8053
H5	2.7183	2.0487	4.1062	1.0335		1.6336	4.2518	4.5549	2.4020	2.9402	2.5384	3.0526
H6	2.7183	2.0487	4.1062	1.0335	1.6336		4.5549	4.2518	2.9402	2.4020	3.0526	2.5384
H7	2.0487	2.7183	1.0335	4.1062	4.2518	4.5549		1.6336	2.5384	3.0526	2.4020	2.9402
H8	2.0487	2.7183	1.0335	4.1062	4.5549	4.2518	1.6336		3.0526	2.5384	2.9402	2.4020
H9	2.1764	1.0913	2.8053	2.0979	2.4020	2.9402	2.5384	3.0526		1.7601	2.5163	3.0708
H10	2.1764	1.0913	2.8053	2.0979	2.9402	2.4020	3.0526	2.5384	1.7601		3.0708	2.5163
H11	1.0913	2.1764	2.0979	2.8053	2.5384	3.0526	2.4020	2.9402	2.5163	3.0708		1.7601
H12	1.0913	2.1764	2.0979	2.8053	3.0526	2.5384	2.9402	2.4020	3.0708	2.5163	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	114.614	C1	C2	H9	109.242
C1	C2	H10	109.242	C1	N3	H7	107.455
C1	N3	H8	107.455	C2	C1	N3	114.614
C2	C1	H11	109.242	C2	C1	H12	109.242
C2	N4	H5	107.455	C2	N4	H6	107.455
N3	C1	H11	108.006	N3	C1	H12	108.006
N4	C2	H9	108.006	N4	C2	H10	108.006
H5	N4	H6	104.433	H7	N3	H8	104.433
H9	C2	H10	107.495	H11	C1	H12	107.495

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/STO-3G

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	-0.032
2	C	-0.032
3	N	-0.377
4	N	-0.377
5	H	0.146
6	H	0.146
7	H	0.146
8	H	0.146
9	H	0.059
10	H	0.059
11	H	0.059
12	H	0.059

	x	y	z
x	2.813	-0.672	0.000
y	-0.672	2.545	0.000
z	0.000	0.000	3.032

<r²>	106.957
(<r²>)^1/2	10.342

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)