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	hartrees
Energy at 0K	-190.451444
Energy at 298.15K	-190.461627
Nuclear repulsion energy	131.952670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3508	3363	0.00
2	A_g	3029	2903	0.00
3	A_g	1718	1647	0.00
4	A_g	1486	1425	0.00
5	A_g	1401	1343	0.00
6	A_g	1133	1086	0.00
7	A_g	1071	1027	0.00
8	A_g	852	816	0.00
9	A_g	455	436	0.00
10	A_u	3588	3439	1.40
11	A_u	3086	2958	88.14
12	A_u	1412	1354	3.09
13	A_u	1084	1039	0.13
14	A_u	750	719	0.50
15	A_u	265	254	117.90
16	A_u	146	140	0.21
17	B_g	3588	3440	0.00
18	B_g	3057	2930	0.00
19	B_g	1386	1329	0.00
20	B_g	1310	1255	0.00
21	B_g	946	907	0.00
22	B_g	302	289	0.00
23	B_u	3508	3362	5.67
24	B_u	3037	2911	107.01
25	B_u	1717	1645	63.88
26	B_u	1506	1443	2.10
27	B_u	1329	1274	23.16
28	B_u	1107	1061	13.70
29	B_u	889	852	451.08
30	B_u	258	247	21.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.656	0.000
C2	-0.395	-0.656	0.000
N3	-0.395	1.878	0.000
N4	0.395	-1.878	0.000
H5	1.002	-1.898	0.811
H6	1.002	-1.898	-0.811
H7	-1.002	1.898	0.811
H8	-1.002	1.898	-0.811
H9	-1.055	-0.677	-0.874
H10	-1.055	-0.677	0.874
H11	1.055	0.677	-0.874
H12	1.055	0.677	0.874

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5305	1.4551	2.5336	2.7475	2.7475	2.0378	2.0378	2.1546	2.1546	1.0956	1.0956
C2	1.5305		2.5336	1.4551	2.0378	2.0378	2.7475	2.7475	1.0956	1.0956	2.1546	2.1546
N3	1.4551	2.5336		3.8381	4.1071	4.1071	1.0135	1.0135	2.7799	2.7799	2.0757	2.0757
N4	2.5336	1.4551	3.8381		1.0135	1.0135	4.1071	4.1071	2.0757	2.0757	2.7799	2.7799
H5	2.7475	2.0378	4.1071	1.0135		1.6227	4.2927	4.5891	2.9262	2.3931	3.0780	2.5766
H6	2.7475	2.0378	4.1071	1.0135	1.6227		4.5891	4.2927	2.3931	2.9262	2.5766	3.0780
H7	2.0378	2.7475	1.0135	4.1071	4.2927	4.5891		1.6227	3.0780	2.5766	2.9262	2.3931
H8	2.0378	2.7475	1.0135	4.1071	4.5891	4.2927	1.6227		2.5766	3.0780	2.3931	2.9262
H9	2.1546	1.0956	2.7799	2.0757	2.9262	2.3931	3.0780	2.5766		1.7474	2.5078	3.0565
H10	2.1546	1.0956	2.7799	2.0757	2.3931	2.9262	2.5766	3.0780	1.7474		3.0565	2.5078
H11	1.0956	2.1546	2.0757	2.7799	3.0780	2.5766	2.9262	2.3931	2.5078	3.0565		1.7474
H12	1.0956	2.1546	2.0757	2.7799	2.5766	3.0780	2.3931	2.9262	3.0565	2.5078	1.7474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.094	C1	C2	H9	109.135
C1	C2	H10	109.135	C1	N3	H7	109.981
C1	N3	H8	109.981	C2	C1	N3	116.094
C2	C1	H11	109.135	C2	C1	H12	109.135
C2	N4	H5	109.981	C2	N4	H6	109.981
N3	C1	H11	108.104	N3	C1	H12	108.104
N4	C2	H9	108.104	N4	C2	H10	108.104
H5	N4	H6	106.365	H7	N3	H8	106.365
H9	C2	H10	105.778	H11	C1	H12	105.778

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B1B95/6-311G*

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	-0.311
2	C	-0.311
3	N	-0.728
4	N	-0.728
5	H	0.314
6	H	0.314
7	H	0.314
8	H	0.314
9	H	0.206
10	H	0.206
11	H	0.206
12	H	0.206

	x	y	z
x	5.712	-0.554	0.000
y	-0.554	6.135	0.000
z	0.000	0.000	5.534

<r²>	106.101
(<r²>)^1/2	10.301

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)