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	hartrees
Energy at 0K	-189.215225
Energy at 298.15K
HF Energy	-188.968745
Nuclear repulsion energy	117.709195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3625	2.34
2	A	3530	3530	0.82
3	A	3167	3167	0.05
4	A	1749	1749	0.31
5	A	1650	1650	19.63
6	A	1344	1344	0.59
7	A	1287	1287	0.00
8	A	1038	1038	0.43
9	A	940	940	70.81
10	A	801	801	131.23
11	A	554	554	1.39
12	A	327	327	2.63
13	A	245	245	16.16
14	B	3625	3625	6.57
15	B	3528	3528	3.34
16	B	3171	3171	42.44
17	B	1657	1657	45.59
18	B	1400	1400	9.03
19	B	1175	1175	105.97
20	B	1134	1134	1.27
21	B	816	816	89.36
22	B	742	742	306.56
23	B	344	344	34.66
24	B	250	250	97.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.036
C2	-0.313	-0.590	0.036
N3	-0.313	1.848	-0.109
N4	0.313	-1.848	-0.109
H5	1.396	0.631	0.039
H6	-1.396	-0.631	0.039
H7	-1.320	1.787	-0.061
H8	1.320	-1.787	-0.061
H9	0.009	2.524	0.569
H10	-0.009	-2.524	0.569

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3354	1.4132	2.4423	1.0838	2.1007	2.0272	2.5828	2.0287	3.1750
C2	1.3354		2.4423	1.4132	2.1007	1.0838	2.5828	2.0272	3.1750	2.0287
N3	1.4132	2.4423		3.7490	2.1034	2.7098	1.0099	3.9852	1.0098	4.4345
N4	2.4423	1.4132	3.7490		2.7098	2.1034	3.9852	1.0099	4.4345	1.0098
H5	1.0838	2.1007	2.1034	2.7098		3.0646	2.9534	2.4213	2.4053	3.4943
H6	2.1007	1.0838	2.7098	2.1034	3.0646		2.4213	2.9534	3.4943	2.4053
H7	2.0272	2.5828	1.0099	3.9852	2.9534	2.4213		4.4429	1.6450	4.5491
H8	2.5828	2.0272	3.9852	1.0099	2.4213	2.9534	4.4429		4.5491	1.6450
H9	2.0287	3.1750	1.0098	4.4345	2.4053	3.4943	1.6450	4.5491		5.0473
H10	3.1750	2.0287	4.4345	1.0098	3.4943	2.4053	4.5491	1.6450	5.0473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.360	C1	C2	H6	120.165
C1	N3	H7	112.502	C1	N3	H9	112.648
C2	C1	N3	125.360	C2	C1	H5	120.165
C2	N4	H8	112.502	C2	N4	H10	112.648
N3	C1	H5	114.133	N4	C2	H6	114.133
H7	N3	H9	109.068	H8	N4	H10	109.068

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/Def2TZVPP

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	-0.017
2	C	-0.017
3	N	-0.319
4	N	-0.319
5	H	0.054
6	H	0.054
7	H	0.136
8	H	0.136
9	H	0.146
10	H	0.146

	x	y	z	Total
	0.000	0.000	2.042	2.042
CHELPG
AIM
ESP

	x	y	z
x	5.849	0.086	0.000
y	0.086	9.318	0.000
z	0.000	0.000	4.446

<r²>	97.909
(<r²>)^1/2	9.895

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)