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	hartrees
Energy at 0K	-190.442875
Energy at 298.15K	-190.453103
Nuclear repulsion energy	131.507020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3483	3332	0.00
2	A_g	3032	2901	0.00
3	A_g	1703	1630	0.00
4	A_g	1504	1439	0.00
5	A_g	1416	1355	0.00
6	A_g	1139	1089	0.00
7	A_g	1069	1023	0.00
8	A_g	862	824	0.00
9	A_g	459	439	0.00
10	A_u	3572	3417	0.35
11	A_u	3093	2959	78.13
12	A_u	1414	1353	2.12
13	A_u	1087	1040	0.32
14	A_u	759	726	0.91
15	A_u	279	267	125.35
16	A_u	149	142	0.08
17	B_g	3573	3418	0.00
18	B_g	3066	2933	0.00
19	B_g	1389	1329	0.00
20	B_g	1315	1258	0.00
21	B_g	953	912	0.00
22	B_g	316	302	0.00
23	B_u	3483	3332	2.56
24	B_u	3040	2909	95.01
25	B_u	1702	1628	48.56
26	B_u	1521	1455	0.95
27	B_u	1341	1283	26.30
28	B_u	1111	1063	10.59
29	B_u	899	860	435.35
30	B_u	266	254	20.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.396	0.659	0.000
C2	-0.396	-0.659	0.000
N3	-0.396	1.885	0.000
N4	0.396	-1.885	0.000
H5	1.009	-1.897	0.813
H6	1.009	-1.897	-0.813
H7	-1.009	1.897	0.813
H8	-1.009	1.897	-0.813
H9	-1.057	-0.683	-0.878
H10	-1.057	-0.683	0.878
H11	1.057	0.683	-0.878
H12	1.057	0.683	0.878

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5373	1.4591	2.5438	2.7518	2.7518	2.0414	2.0414	2.1636	2.1636	1.0995	1.0995
C2	1.5373		2.5438	1.4591	2.0414	2.0414	2.7518	2.7518	1.0995	1.0995	2.1636	2.1636
N3	1.4591	2.5438		3.8518	4.1157	4.1157	1.0183	1.0183	2.7929	2.7929	2.0800	2.0800
N4	2.5438	1.4591	3.8518		1.0183	1.0183	4.1157	4.1157	2.0800	2.0800	2.7929	2.7929
H5	2.7518	2.0414	4.1157	1.0183		1.6260	4.2979	4.5952	2.9330	2.3973	3.0853	2.5814
H6	2.7518	2.0414	4.1157	1.0183	1.6260		4.5952	4.2979	2.3973	2.9330	2.5814	3.0853
H7	2.0414	2.7518	1.0183	4.1157	4.2979	4.5952		1.6260	3.0853	2.5814	2.9330	2.3973
H8	2.0414	2.7518	1.0183	4.1157	4.5952	4.2979	1.6260		2.5814	3.0853	2.3973	2.9330
H9	2.1636	1.0995	2.7929	2.0800	2.9330	2.3973	3.0853	2.5814		1.7562	2.5165	3.0687
H10	2.1636	1.0995	2.7929	2.0800	2.3973	2.9330	2.5814	3.0853	1.7562		3.0687	2.5165
H11	1.0995	2.1636	2.0800	2.7929	3.0853	2.5814	2.9330	2.3973	2.5165	3.0687		1.7562
H12	1.0995	2.1636	2.0800	2.7929	2.5814	3.0853	2.3973	2.9330	3.0687	2.5165	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.172	C1	C2	H9	109.154
C1	C2	H10	109.154	C1	N3	H7	109.692
C1	N3	H8	109.692	C2	C1	N3	116.172
C2	C1	H11	109.154	C2	C1	H12	109.154
C2	N4	H5	109.692	C2	N4	H6	109.692
N3	C1	H11	107.943	N3	C1	H12	107.943
N4	C2	H9	107.943	N4	C2	H10	107.943
H5	N4	H6	105.953	H7	N3	H8	105.953
H9	C2	H10	105.999	H11	C1	H12	105.999

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B3PW91/6-31G*

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	-0.205
2	C	-0.205
3	N	-0.734
4	N	-0.734
5	H	0.311
6	H	0.311
7	H	0.311
8	H	0.311
9	H	0.158
10	H	0.158
11	H	0.158
12	H	0.158

	x	y	z
x	5.236	-0.708	0.000
y	-0.708	5.667	0.000
z	0.000	0.000	5.271

<r²>	106.667
(<r²>)^1/2	10.328

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)