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	hartrees
Energy at 0K	-189.125373
Energy at 298.15K
HF Energy	-188.922009
Nuclear repulsion energy	117.426049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3624	0.29
2	A	3530	3530	0.47
3	A	3160	3160	0.02
4	A	1765	1765	1.31
5	A	1708	1708	31.14
6	A	1352	1352	0.74
7	A	1304	1304	0.02
8	A	1053	1053	1.98
9	A	933	933	89.67
10	A	856	856	142.05
11	A	556	556	1.13
12	A	328	328	0.67
13	A	252	252	20.33
14	B	3624	3624	0.63
15	B	3528	3528	0.67
16	B	3163	3163	57.78
17	B	1721	1721	59.46
18	B	1419	1419	6.32
19	B	1186	1186	79.82
20	B	1154	1154	0.52
21	B	818	818	360.74
22	B	770	770	122.94
23	B	347	347	38.28
24	B	248	248	107.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.592	0.040
C2	-0.312	-0.592	0.040
N3	-0.312	1.854	-0.113
N4	0.312	-1.854	-0.113
H5	1.399	0.638	0.040
H6	-1.399	-0.638	0.040
H7	-1.321	1.784	-0.078
H8	1.321	-1.784	-0.078
H9	-0.004	2.520	0.585
H10	0.004	-2.520	0.585

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3395	1.4163	2.4516	1.0878	2.1080	2.0252	2.5843	2.0276	3.1745
C2	1.3395		2.4516	1.4163	2.1080	1.0878	2.5843	2.0252	3.1745	2.0276
N3	1.4163	2.4516		3.7608	2.1050	2.7234	1.0119	3.9881	1.0119	4.4407
N4	2.4516	1.4163	3.7608		2.7234	2.1050	3.9881	1.0119	4.4407	1.0119
H5	1.0878	2.1080	2.1050	2.7234		3.0756	2.9539	2.4262	2.4099	3.4950
H6	2.1080	1.0878	2.7234	2.1050	3.0756		2.4262	2.9539	3.4950	2.4099
H7	2.0252	2.5843	1.0119	3.9881	2.9539	2.4262		4.4395	1.6473	4.5517
H8	2.5843	2.0252	3.9881	1.0119	2.4262	2.9539	4.4395		4.5517	1.6473
H9	2.0276	3.1745	1.0119	4.4407	2.4099	3.4950	1.6473	4.5517		5.0398
H10	3.1745	2.0276	4.4407	1.0119	3.4950	2.4099	4.5517	1.6473	5.0398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.627	C1	C2	H6	120.206
C1	N3	H7	111.956	C1	N3	H9	112.168
C2	C1	N3	125.627	C2	C1	H5	120.206
C2	N4	H8	111.956	C2	N4	H10	112.168
N3	C1	H5	113.771	N4	C2	H6	113.771
H7	N3	H9	108.974	H8	N4	H10	108.974

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/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	-0.079
2	C	-0.079
3	N	-0.754
4	N	-0.754
5	H	0.193
6	H	0.193
7	H	0.321
8	H	0.321
9	H	0.320
10	H	0.320

	x	y	z	Total
	0.000	0.000	2.359	2.359
CHELPG
AIM
ESP

	x	y	z
x	5.323	0.167	0.000
y	0.167	8.563	0.000
z	0.000	0.000	3.247

<r²>	98.132
(<r²>)^1/2	9.906

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)