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	hartrees
Energy at 0K	-190.274834
Energy at 298.15K	-190.284991
Nuclear repulsion energy	130.754178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3388	3341	0.00
2	A_g	2949	2908	0.00
3	A_g	1625	1603	0.00
4	A_g	1441	1421	0.00
5	A_g	1354	1336	0.00
6	A_g	1104	1089	0.00
7	A_g	1025	1011	0.00
8	A_g	834	822	0.00
9	A_g	447	441	0.00
10	A_u	3474	3427	1.90
11	A_u	3011	2970	71.02
12	A_u	1364	1345	2.72
13	A_u	1051	1037	0.33
14	A_u	740	729	1.12
15	A_u	283	279	113.05
16	A_u	147	145	0.01
17	B_g	3475	3428	0.00
18	B_g	2985	2944	0.00
19	B_g	1339	1321	0.00
20	B_g	1267	1250	0.00
21	B_g	924	911	0.00
22	B_g	323	319	0.00
23	B_u	3387	3340	5.87
24	B_u	2958	2917	91.31
25	B_u	1624	1601	36.58
26	B_u	1459	1439	0.44
27	B_u	1286	1269	25.98
28	B_u	1075	1061	6.20
29	B_u	868	856	392.50
30	B_u	255	251	18.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.663	0.000
C2	-0.397	-0.663	0.000
N3	-0.397	1.898	0.000
N4	0.397	-1.898	0.000
H5	1.021	-1.891	0.815
H6	1.021	-1.891	-0.815
H7	-1.021	1.891	0.815
H8	-1.021	1.891	-0.815
H9	-1.063	-0.683	-0.884
H10	-1.063	-0.683	0.884
H11	1.063	0.683	-0.884
H12	1.063	0.683	0.884

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5448	1.4679	2.5610	2.7523	2.7523	2.0449	2.0449	2.1734	2.1734	1.1073	1.1073
C2	1.5448		2.5610	1.4679	2.0449	2.0449	2.7523	2.7523	1.1073	1.1073	2.1734	2.1734
N3	1.4679	2.5610		3.8782	4.1267	4.1267	1.0268	1.0268	2.8087	2.8087	2.0948	2.0948
N4	2.5610	1.4679	3.8782		1.0268	1.0268	4.1267	4.1267	2.0948	2.0948	2.8087	2.8087
H5	2.7523	2.0449	4.1267	1.0268		1.6299	4.2978	4.5964	2.9477	2.4099	3.0842	2.5751
H6	2.7523	2.0449	4.1267	1.0268	1.6299		4.5964	4.2978	2.4099	2.9477	2.5751	3.0842
H7	2.0449	2.7523	1.0268	4.1267	4.2978	4.5964		1.6299	3.0842	2.5751	2.9477	2.4099
H8	2.0449	2.7523	1.0268	4.1267	4.5964	4.2978	1.6299		2.5751	3.0842	2.4099	2.9477
H9	2.1734	1.1073	2.8087	2.0948	2.9477	2.4099	3.0842	2.5751		1.7677	2.5275	3.0843
H10	2.1734	1.1073	2.8087	2.0948	2.4099	2.9477	2.5751	3.0842	1.7677		3.0843	2.5275
H11	1.1073	2.1734	2.0948	2.8087	3.0842	2.5751	2.9477	2.4099	2.5275	3.0843		1.7677
H12	1.1073	2.1734	2.0948	2.8087	2.5751	3.0842	2.4099	2.9477	3.0843	2.5275	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.411	C1	C2	H9	108.952
C1	C2	H10	108.952	C1	N3	H7	108.820
C1	N3	H8	108.820	C2	C1	N3	116.411
C2	C1	H11	108.952	C2	C1	H12	108.952
C2	N4	H5	108.820	C2	N4	H6	108.820
N3	C1	H11	108.053	N3	C1	H12	108.053
N4	C2	H9	108.053	N4	C2	H10	108.053
H5	N4	H6	105.061	H7	N3	H8	105.061
H9	C2	H10	105.922	H11	C1	H12	105.922

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: PBEPBE/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	-0.123
2	C	-0.123
3	N	-0.576
4	N	-0.576
5	H	0.238
6	H	0.238
7	H	0.238
8	H	0.238
9	H	0.111
10	H	0.111
11	H	0.111
12	H	0.111

	x	y	z
x	5.534	-0.748	0.000
y	-0.748	6.077	0.000
z	0.000	0.000	5.503

<r²>	107.632
(<r²>)^1/2	10.375

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)