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	hartrees
Energy at 0K	-190.467945
Energy at 298.15K	-190.478120
Nuclear repulsion energy	131.978228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3512	3372	0.00
2	A_g	3024	2903	0.00
3	A_g	1663	1596	0.00
4	A_g	1476	1417	0.00
5	A_g	1393	1337	0.00
6	A_g	1128	1083	0.00
7	A_g	1066	1023	0.00
8	A_g	835	802	0.00
9	A_g	454	436	0.00
10	A_u	3592	3448	0.00
11	A_u	3082	2959	79.04
12	A_u	1394	1338	2.61
13	A_u	1072	1030	0.18
14	A_u	754	724	0.54
15	A_u	262	251	104.83
16	A_u	145	139	0.08
17	B_g	3592	3449	0.00
18	B_g	3053	2931	0.00
19	B_g	1370	1315	0.00
20	B_g	1297	1245	0.00
21	B_g	940	902	0.00
22	B_g	302	290	0.00
23	B_u	3511	3371	1.64
24	B_u	3032	2911	97.68
25	B_u	1662	1595	50.42
26	B_u	1494	1434	1.16
27	B_u	1320	1268	21.10
28	B_u	1103	1059	17.96
29	B_u	868	834	405.78
30	B_u	257	247	19.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	0.655	0.000
C2	-0.395	-0.655	0.000
N3	-0.395	1.877	0.000
N4	0.395	-1.877	0.000
H5	1.004	-1.896	0.811
H6	1.004	-1.896	-0.811
H7	-1.004	1.896	0.811
H8	-1.004	1.896	-0.811
H9	-1.055	-0.674	-0.874
H10	-1.055	-0.674	0.874
H11	1.055	0.674	-0.874
H12	1.055	0.674	0.874

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5307	1.4552	2.5324	2.7449	2.7449	2.0377	2.0377	2.1527	2.1527	1.0954	1.0954
C2	1.5307		2.5324	1.4552	2.0377	2.0377	2.7449	2.7449	1.0954	1.0954	2.1527	2.1527
N3	1.4552	2.5324		3.8364	4.1044	4.1044	1.0136	1.0136	2.7757	2.7757	2.0776	2.0776
N4	2.5324	1.4552	3.8364		1.0136	1.0136	4.1044	4.1044	2.0776	2.0776	2.7757	2.7757
H5	2.7449	2.0377	4.1044	1.0136		1.6215	4.2896	4.5858	2.9275	2.3948	3.0728	2.5704
H6	2.7449	2.0377	4.1044	1.0136	1.6215		4.5858	4.2896	2.3948	2.9275	2.5704	3.0728
H7	2.0377	2.7449	1.0136	4.1044	4.2896	4.5858		1.6215	3.0728	2.5704	2.9275	2.3948
H8	2.0377	2.7449	1.0136	4.1044	4.5858	4.2896	1.6215		2.5704	3.0728	2.3948	2.9275
H9	2.1527	1.0954	2.7757	2.0776	2.9275	2.3948	3.0728	2.5704		1.7486	2.5034	3.0536
H10	2.1527	1.0954	2.7757	2.0776	2.3948	2.9275	2.5704	3.0728	1.7486		3.0536	2.5034
H11	1.0954	2.1527	2.0776	2.7757	3.0728	2.5704	2.9275	2.3948	2.5034	3.0536		1.7486
H12	1.0954	2.1527	2.0776	2.7757	2.5704	3.0728	2.3948	2.9275	3.0536	2.5034	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.985	C1	C2	H9	108.984
C1	C2	H10	108.984	C1	N3	H7	109.960
C1	N3	H8	109.960	C2	C1	N3	115.985
C2	C1	H11	108.984	C2	C1	H12	108.984
C2	N4	H5	109.960	C2	N4	H6	109.960
N3	C1	H11	108.258	N3	C1	H12	108.258
N4	C2	H9	108.258	N4	C2	H10	108.258
H5	N4	H6	106.225	H7	N3	H8	106.225
H9	C2	H10	105.908	H11	C1	H12	105.908

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	-0.162
2	C	-0.162
3	N	-0.458
4	N	-0.458
5	H	0.193
6	H	0.193
7	H	0.193
8	H	0.193
9	H	0.118
10	H	0.118
11	H	0.118
12	H	0.118

	x	y	z
x	5.830	-0.553	0.000
y	-0.553	6.298	0.000
z	0.000	0.000	5.622

<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)