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	hartrees
Energy at 0K	-190.529548
Energy at 298.15K	-190.539776
Nuclear repulsion energy	131.252038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3478	3342	0.00
2	A_g	3017	2898	0.00
3	A_g	1674	1608	0.00
4	A_g	1494	1436	0.00
5	A_g	1408	1353	0.00
6	A_g	1121	1077	0.00
7	A_g	1050	1009	0.00
8	A_g	847	813	0.00
9	A_g	458	440	0.00
10	A_u	3561	3422	0.98
11	A_u	3074	2953	79.29
12	A_u	1402	1347	1.75
13	A_u	1079	1036	0.36
14	A_u	761	732	0.60
15	A_u	279	268	113.57
16	A_u	149	143	0.08
17	B_g	3562	3422	0.00
18	B_g	3047	2928	0.00
19	B_g	1380	1326	0.00
20	B_g	1307	1256	0.00
21	B_g	949	912	0.00
22	B_g	316	303	0.00
23	B_u	3478	3341	3.13
24	B_u	3024	2906	94.47
25	B_u	1673	1607	40.52
26	B_u	1513	1453	0.16
27	B_u	1337	1284	28.40
28	B_u	1088	1046	10.21
29	B_u	883	848	410.11
30	B_u	269	259	18.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.660	0.000
C2	-0.397	-0.660	0.000
N3	-0.397	1.890	0.000
N4	0.397	-1.890	0.000
H5	1.011	-1.902	0.813
H6	1.011	-1.902	-0.813
H7	-1.011	1.902	0.813
H8	-1.011	1.902	-0.813
H9	-1.058	-0.682	-0.878
H10	-1.058	-0.682	0.878
H11	1.058	0.682	-0.878
H12	1.058	0.682	0.878

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5410	1.4643	2.5499	2.7568	2.7568	2.0459	2.0459	2.1652	2.1652	1.0987	1.0987
C2	1.5410		2.5499	1.4643	2.0459	2.0459	2.7568	2.7568	1.0987	1.0987	2.1652	2.1652
N3	1.4643	2.5499		3.8624	4.1256	4.1256	1.0184	1.0184	2.7962	2.7962	2.0852	2.0852
N4	2.5499	1.4643	3.8624		1.0184	1.0184	4.1256	4.1256	2.0852	2.0852	2.7962	2.7962
H5	2.7568	2.0459	4.1256	1.0184		1.6254	4.3075	4.6040	2.9370	2.4025	3.0877	2.5846
H6	2.7568	2.0459	4.1256	1.0184	1.6254		4.6040	4.3075	2.4025	2.9370	2.5846	3.0877
H7	2.0459	2.7568	1.0184	4.1256	4.3075	4.6040		1.6254	3.0877	2.5846	2.9370	2.4025
H8	2.0459	2.7568	1.0184	4.1256	4.6040	4.3075	1.6254		2.5846	3.0877	2.4025	2.9370
H9	2.1652	1.0987	2.7962	2.0852	2.9370	2.4025	3.0877	2.5846		1.7560	2.5164	3.0685
H10	2.1652	1.0987	2.7962	2.0852	2.4025	2.9370	2.5846	3.0877	1.7560		3.0685	2.5164
H11	1.0987	2.1652	2.0852	2.7962	3.0877	2.5846	2.9370	2.4025	2.5164	3.0685		1.7560
H12	1.0987	2.1652	2.0852	2.7962	2.5846	3.0877	2.4025	2.9370	3.0685	2.5164	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.073	C1	C2	H9	109.067
C1	C2	H10	109.067	C1	N3	H7	109.687
C1	N3	H8	109.687	C2	C1	N3	116.073
C2	C1	H11	109.067	C2	C1	H12	109.067
C2	N4	H5	109.687	C2	N4	H6	109.687
N3	C1	H11	108.044	N3	C1	H12	108.044
N4	C2	H9	108.044	N4	C2	H10	108.044
H5	N4	H6	105.887	H7	N3	H8	105.887
H9	C2	H10	106.091	H11	C1	H12	106.091

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3LYP/6-31G**

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	-0.066
2	C	-0.066
3	N	-0.591
4	N	-0.591
5	H	0.235
6	H	0.235
7	H	0.235
8	H	0.235
9	H	0.094
10	H	0.094
11	H	0.094
12	H	0.094

	x	y	z
x	5.335	-0.729	0.000
y	-0.729	5.765	0.000
z	0.000	0.000	5.365

<r²>	107.121
(<r²>)^1/2	10.350

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)