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	hartrees
Energy at 0K	-189.582468
Energy at 298.15K	-189.592515
HF Energy	-189.582468
Nuclear repulsion energy	132.368224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3426	3387	0.00
2	A_g	2935	2901	0.00
3	A_g	1592	1574	0.00
4	A_g	1402	1386	0.00
5	A_g	1339	1323	0.00
6	A_g	1125	1112	0.00
7	A_g	1055	1043	0.00
8	A_g	753	744	0.00
9	A_g	456	451	0.00
10	A_u	3512	3472	4.67
11	A_u	2997	2962	51.60
12	A_u	1336	1320	1.94
13	A_u	1033	1021	0.00
14	A_u	739	730	0.95
15	A_u	249	246	112.50
16	A_u	147	145	0.25
17	B_g	3513	3473	0.00
18	B_g	2968	2934	0.00
19	B_g	1314	1299	0.00
20	B_g	1251	1236	0.00
21	B_g	909	899	0.00
22	B_g	293	289	0.00
23	B_u	3425	3386	0.58
24	B_u	2946	2913	82.91
25	B_u	1591	1573	67.08
26	B_u	1420	1403	3.44
27	B_u	1273	1258	12.58
28	B_u	1113	1101	29.17
29	B_u	770	761	448.73
30	B_u	255	252	26.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.391	0.650	0.000
C2	-0.391	-0.650	0.000
N3	-0.391	1.859	0.000
N4	0.391	-1.859	0.000
H5	0.991	-1.917	0.825
H6	0.991	-1.917	-0.825
H7	-0.991	1.917	0.825
H8	-0.991	1.917	-0.825
H9	-1.062	-0.663	-0.879
H10	-1.062	-0.663	0.879
H11	1.062	0.663	-0.879
H12	1.062	0.663	0.879

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5174	1.4400	2.5096	2.7629	2.7629	2.0487	2.0487	2.1462	2.1462	1.1058	1.1058
C2	1.5174		2.5096	1.4400	2.0487	2.0487	2.7629	2.7629	1.1058	1.1058	2.1462	2.1462
N3	1.4400	2.5096		3.8001	4.1055	4.1055	1.0220	1.0220	2.7537	2.7537	2.0773	2.0773
N4	2.5096	1.4400	3.8001		1.0220	1.0220	4.1055	4.1055	2.0773	2.0773	2.7537	2.7537
H5	2.7629	2.0487	4.1055	1.0220		1.6499	4.3169	4.6215	2.9484	2.4067	3.0927	2.5814
H6	2.7629	2.0487	4.1055	1.0220	1.6499		4.6215	4.3169	2.4067	2.9484	2.5814	3.0927
H7	2.0487	2.7629	1.0220	4.1055	4.3169	4.6215		1.6499	3.0927	2.5814	2.9484	2.4067
H8	2.0487	2.7629	1.0220	4.1055	4.6215	4.3169	1.6499		2.5814	3.0927	2.4067	2.9484
H9	2.1462	1.1058	2.7537	2.0773	2.9484	2.4067	3.0927	2.5814		1.7582	2.5028	3.0586
H10	2.1462	1.1058	2.7537	2.0773	2.4067	2.9484	2.5814	3.0927	1.7582		3.0586	2.5028
H11	1.1058	2.1462	2.0773	2.7537	3.0927	2.5814	2.9484	2.4067	2.5028	3.0586		1.7582
H12	1.1058	2.1462	2.0773	2.7537	2.5814	3.0927	2.4067	2.9484	3.0586	2.5028	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.093	C1	C2	H9	108.789
C1	C2	H10	108.789	C1	N3	H7	111.509
C1	N3	H8	111.509	C2	C1	N3	116.093
C2	C1	H11	108.789	C2	C1	H12	108.789
C2	N4	H5	111.509	C2	N4	H6	111.509
N3	C1	H11	108.660	N3	C1	H12	108.660
N4	C2	H9	108.660	N4	C2	H10	108.660
H5	N4	H6	107.649	H7	N3	H8	107.649
H9	C2	H10	105.315	H11	C1	H12	105.315

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: SVWN/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	-0.328
2	C	-0.328
3	N	-0.425
4	N	-0.425
5	H	0.220
6	H	0.220
7	H	0.220
8	H	0.220
9	H	0.157
10	H	0.157
11	H	0.157
12	H	0.157

	x	y	z
x	6.523	-0.462	0.000
y	-0.462	7.117	0.000
z	0.000	0.000	6.140

<r²>	105.723
(<r²>)^1/2	10.282

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)