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	hartrees
Energy at 0K	-189.360295
Energy at 298.15K	-189.370432
HF Energy	-189.360295
Nuclear repulsion energy	130.628967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3438	3257	0.00
2	A_g	3102	2939	0.00
3	A_g	1717	1626	0.00
4	A_g	1548	1466	0.00
5	A_g	1426	1351	0.00
6	A_g	1120	1061	0.00
7	A_g	1025	970	0.00
8	A_g	665	630	0.00
9	A_g	464	440	0.00
10	A_u	3541	3354	0.70
11	A_u	3165	2998	50.50
12	A_u	1414	1339	2.78
13	A_u	1099	1041	0.01
14	A_u	783	742	1.21
15	A_u	293	278	133.08
16	A_u	156	148	2.05
17	B_g	3542	3355	0.00
18	B_g	3137	2971	0.00
19	B_g	1401	1327	0.00
20	B_g	1323	1254	0.00
21	B_g	959	909	0.00
22	B_g	318	302	0.00
23	B_u	3438	3256	0.01
24	B_u	3112	2948	62.14
25	B_u	1717	1627	48.60
26	B_u	1564	1481	2.57
27	B_u	1368	1296	4.02
28	B_u	1100	1042	12.47
29	B_u	675	640	600.45
30	B_u	267	252	22.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	0.657	0.000
C2	-0.408	-0.657	0.000
N3	-0.408	1.884	0.000
N4	0.408	-1.884	0.000
H5	0.984	-1.976	0.840
H6	0.984	-1.976	-0.840
H7	-0.984	1.976	0.840
H8	-0.984	1.976	-0.840
H9	-1.058	-0.673	-0.883
H10	-1.058	-0.673	0.883
H11	1.058	0.673	-0.883
H12	1.058	0.673	0.883

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5480	1.4740	2.5418	2.8230	2.8230	2.0931	2.0931	2.1679	2.1679	1.0962	1.0962
C2	1.5480		2.5418	1.4740	2.0931	2.0931	2.8230	2.8230	1.0962	1.0962	2.1679	2.1679
N3	1.4740	2.5418		3.8562	4.1884	4.1884	1.0219	1.0219	2.7821	2.7821	2.0972	2.0972
N4	2.5418	1.4740	3.8562		1.0219	1.0219	4.1884	4.1884	2.0972	2.0972	2.7821	2.7821
H5	2.8230	2.0931	4.1884	1.0219		1.6795	4.4140	4.7228	2.9722	2.4226	3.1601	2.6499
H6	2.8230	2.0931	4.1884	1.0219	1.6795		4.7228	4.4140	2.4226	2.9722	2.6499	3.1601
H7	2.0931	2.8230	1.0219	4.1884	4.4140	4.7228		1.6795	3.1601	2.6499	2.9722	2.4226
H8	2.0931	2.8230	1.0219	4.1884	4.7228	4.4140	1.6795		2.6499	3.1601	2.4226	2.9722
H9	2.1679	1.0962	2.7821	2.0972	2.9722	2.4226	3.1601	2.6499		1.7653	2.5081	3.0671
H10	2.1679	1.0962	2.7821	2.0972	2.4226	2.9722	2.6499	3.1601	1.7653		3.0671	2.5081
H11	1.0962	2.1679	2.0972	2.7821	3.1601	2.6499	2.9722	2.4226	2.5081	3.0671		1.7653
H12	1.0962	2.1679	2.0972	2.7821	2.6499	3.1601	2.4226	2.9722	3.0671	2.5081	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	114.489	C1	C2	H9	108.950
C1	C2	H10	108.950	C1	N3	H7	112.729
C1	N3	H8	112.729	C2	C1	N3	114.489
C2	C1	H11	108.950	C2	C1	H12	108.950
C2	N4	H5	112.729	C2	N4	H6	112.729
N3	C1	H11	108.477	N3	C1	H12	108.477
N4	C2	H9	108.477	N4	C2	H10	108.477
H5	N4	H6	110.512	H7	N3	H8	110.512
H9	C2	H10	107.260	H11	C1	H12	107.260

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: M06-2X/3-21G*

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	-0.251
2	C	-0.251
3	N	-0.691
4	N	-0.691
5	H	0.273
6	H	0.273
7	H	0.273
8	H	0.273
9	H	0.198
10	H	0.198
11	H	0.198
12	H	0.198

	x	y	z
x	4.560	-0.901	0.000
y	-0.901	4.891	0.000
z	0.000	0.000	4.903

<r²>	107.935
(<r²>)^1/2	10.389

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)