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	hartrees
Energy at 0K	-189.216973
Energy at 298.15K
HF Energy	-189.216973
Nuclear repulsion energy	117.477442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3608	3452	0.50
2	A	3506	3354	1.66
3	A	3165	3028	0.14
4	A	1785	1708	0.11
5	A	1678	1606	27.72
6	A	1347	1289	0.70
7	A	1302	1246	0.01
8	A	1053	1008	1.05
9	A	944	903	59.87
10	A	838	802	163.10
11	A	557	533	1.41
12	A	339	324	0.02
13	A	255	244	20.92
14	B	3608	3451	1.79
15	B	3505	3353	0.33
16	B	3167	3030	56.07
17	B	1687	1614	49.83
18	B	1408	1347	9.10
19	B	1205	1153	87.82
20	B	1140	1090	0.80
21	B	810	775	205.14
22	B	761	728	271.03
23	B	353	338	53.63
24	B	256	245	99.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.038
C2	-0.312	-0.593	0.038
N3	-0.312	1.851	-0.112
N4	0.312	-1.851	-0.112
H5	1.401	0.641	0.038
H6	-1.401	-0.641	0.038
H7	-1.324	1.783	-0.065
H8	1.324	-1.783	-0.065
H9	-0.000	2.521	0.585
H10	0.000	-2.521	0.585

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3405	1.4116	2.4490	1.0906	2.1114	2.0246	2.5846	2.0281	3.1777
C2	1.3405		2.4490	1.4116	2.1114	1.0906	2.5846	2.0246	3.1777	2.0281
N3	1.4116	2.4490		3.7540	2.1022	2.7242	1.0155	3.9848	1.0162	4.4386
N4	2.4490	1.4116	3.7540		2.7242	2.1022	3.9848	1.0155	4.4386	1.0162
H5	1.0906	2.1114	2.1022	2.7242		3.0818	2.9559	2.4273	2.4076	3.5020
H6	2.1114	1.0906	2.7242	2.1022	3.0818		2.4273	2.9559	3.5020	2.4076
H7	2.0246	2.5846	1.0155	3.9848	2.9559	2.4273		4.4405	1.6494	4.5497
H8	2.5846	2.0246	3.9848	1.0155	2.4273	2.9559	4.4405		4.5497	1.6494
H9	2.0281	3.1777	1.0162	4.4386	2.4076	3.5020	1.6494	4.5497		5.0429
H10	3.1777	2.0281	4.4386	1.0162	3.5020	2.4076	4.5497	1.6494	5.0429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.699	C1	C2	H6	120.223
C1	N3	H7	112.027	C1	N3	H9	112.287
C2	C1	N3	125.699	C2	C1	H5	120.223
C2	N4	H8	112.027	C2	N4	H10	112.287
N3	C1	H5	113.698	N4	C2	H6	113.698
H7	N3	H9	108.552	H8	N4	H10	108.552

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

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	-0.032
2	C	-0.032
3	N	-0.760
4	N	-0.760
5	H	0.144
6	H	0.144
7	H	0.324
8	H	0.324
9	H	0.325
10	H	0.325

	x	y	z
x	5.104	0.102	0.000
y	0.102	8.450	0.000
z	0.000	0.000	2.658

<r²>	97.570
(<r²>)^1/2	9.878

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)