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	hartrees
Energy at 0K	-190.464092
Energy at 298.15K	-190.474193
Nuclear repulsion energy	130.016991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3350	3341	0.00
2	A_g	2928	2921	0.00
3	A_g	1673	1669	0.00
4	A_g	1452	1449	0.00
5	A_g	1356	1353	0.00
6	A_g	1078	1075	0.00
7	A_g	985	983	0.00
8	A_g	823	821	0.00
9	A_g	435	434	0.00
10	A_u	3423	3415	9.40
11	A_u	2979	2972	95.75
12	A_u	1377	1374	3.82
13	A_u	1064	1061	0.09
14	A_u	739	737	0.41
15	A_u	270	270	108.17
16	A_u	140	140	0.18
17	B_g	3424	3415	0.00
18	B_g	2950	2942	0.00
19	B_g	1353	1350	0.00
20	B_g	1278	1275	0.00
21	B_g	928	926	0.00
22	B_g	309	308	0.00
23	B_u	3349	3341	16.81
24	B_u	2937	2929	109.47
25	B_u	1672	1668	52.69
26	B_u	1473	1470	1.39
27	B_u	1303	1300	21.58
28	B_u	1035	1033	7.66
29	B_u	864	862	432.90
30	B_u	257	257	18.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.668	0.000
C2	-0.399	-0.668	0.000
N3	-0.399	1.914	0.000
N4	0.399	-1.914	0.000
H5	1.016	-1.927	0.819
H6	1.016	-1.927	-0.819
H7	-1.016	1.927	0.819
H8	-1.016	1.927	-0.819
H9	-1.062	-0.692	-0.882
H10	-1.062	-0.692	0.882
H11	1.062	0.692	-0.882
H12	1.062	0.692	0.882

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5555	1.4797	2.5816	2.7899	2.7899	2.0637	2.0637	2.1822	2.1822	1.1038	1.1038
C2	1.5555		2.5816	1.4797	2.0637	2.0637	2.7899	2.7899	1.1038	1.1038	2.1822	2.1822
N3	1.4797	2.5816		3.9101	4.1743	4.1743	1.0255	1.0255	2.8303	2.8303	2.0986	2.0986
N4	2.5816	1.4797	3.9101		1.0255	1.0255	4.1743	4.1743	2.0986	2.0986	2.8303	2.8303
H5	2.7899	2.0637	4.1743	1.0255		1.6372	4.3571	4.6545	2.9557	2.4182	3.1233	2.6205
H6	2.7899	2.0637	4.1743	1.0255	1.6372		4.6545	4.3571	2.4182	2.9557	2.6205	3.1233
H7	2.0637	2.7899	1.0255	4.1743	4.3571	4.6545		1.6372	3.1233	2.6205	2.9557	2.4182
H8	2.0637	2.7899	1.0255	4.1743	4.6545	4.3571	1.6372		2.6205	3.1233	2.4182	2.9557
H9	2.1822	1.1038	2.8303	2.0986	2.9557	2.4182	3.1233	2.6205		1.7643	2.5355	3.0889
H10	2.1822	1.1038	2.8303	2.0986	2.4182	2.9557	2.6205	3.1233	1.7643		3.0889	2.5355
H11	1.1038	2.1822	2.0986	2.8303	3.1233	2.6205	2.9557	2.4182	2.5355	3.0889		1.7643
H12	1.1038	2.1822	2.0986	2.8303	2.6205	3.1233	2.4182	2.9557	3.0889	2.5355	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.527	C1	C2	H9	109.104
C1	C2	H10	109.104	C1	N3	H7	109.592
C1	N3	H8	109.592	C2	C1	N3	116.527
C2	C1	H11	109.104	C2	C1	H12	109.104
C2	N4	H5	109.592	C2	N4	H6	109.592
N3	C1	H11	107.757	N3	C1	H12	107.757
N4	C2	H9	107.757	N4	C2	H10	107.757
H5	N4	H6	105.919	H7	N3	H8	105.919
H9	C2	H10	106.097	H11	C1	H12	106.097

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: BLYP/6-311G*

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	-0.273
2	C	-0.273
3	N	-0.674
4	N	-0.674
5	H	0.292
6	H	0.292
7	H	0.292
8	H	0.292
9	H	0.181
10	H	0.181
11	H	0.181
12	H	0.181

	x	y	z
x	6.024	-0.595	0.000
y	-0.595	6.647	0.000
z	0.000	0.000	5.819

<r²>	109.643
(<r²>)^1/2	10.471

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)