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	hartrees
Energy at 0K	-189.207435
Energy at 298.15K
HF Energy	-188.960512
Nuclear repulsion energy	117.696107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3469	1.79
2	A	3520	3378	0.68
3	A	3162	3034	0.02
4	A	1751	1680	0.10
5	A	1650	1583	19.95
6	A	1343	1288	0.73
7	A	1288	1236	0.01
8	A	1040	998	0.69
9	A	941	903	72.14
10	A	816	783	123.83
11	A	554	532	1.14
12	A	328	314	1.77
13	A	249	238	15.78
14	B	3616	3469	4.48
15	B	3519	3376	1.98
16	B	3166	3037	44.63
17	B	1658	1590	44.76
18	B	1400	1343	9.00
19	B	1176	1128	95.13
20	B	1135	1089	1.04
21	B	821	787	117.76
22	B	753	722	291.75
23	B	346	332	35.53
24	B	251	241	93.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.035
C2	-0.313	-0.590	0.035
N3	-0.313	1.850	-0.110
N4	0.313	-1.850	-0.110
H5	1.396	0.631	0.038
H6	-1.396	-0.631	0.038
H7	-1.320	1.782	-0.056
H8	1.320	-1.782	-0.056
H9	0.006	2.517	0.579
H10	-0.006	-2.517	0.579

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3352	1.4139	2.4436	1.0838	2.0999	2.0236	2.5785	2.0257	3.1699
C2	1.3352		2.4436	1.4139	2.0999	1.0838	2.5785	2.0236	3.1699	2.0257
N3	1.4139	2.4436		3.7516	2.1038	2.7107	1.0104	3.9822	1.0104	4.4310
N4	2.4436	1.4139	3.7516		2.7107	2.1038	3.9822	1.0104	4.4310	1.0104
H5	1.0838	2.0999	2.1038	2.7107		3.0636	2.9508	2.4164	2.4043	3.4881
H6	2.0999	1.0838	2.7107	2.1038	3.0636		2.4164	2.9508	3.4881	2.4043
H7	2.0236	2.5785	1.0104	3.9822	2.9508	2.4164		4.4353	1.6430	4.5400
H8	2.5785	2.0236	3.9822	1.0104	2.4164	2.9508	4.4353		4.5400	1.6430
H9	2.0257	3.1699	1.0104	4.4310	2.4043	3.4881	1.6430	4.5400		5.0337
H10	3.1699	2.0257	4.4310	1.0104	3.4881	2.4043	4.5400	1.6430	5.0337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.440	C1	C2	H6	120.117
C1	N3	H7	112.094	C1	N3	H9	112.283
C2	C1	N3	125.440	C2	C1	H5	120.117
C2	N4	H8	112.094	C2	N4	H10	112.283
N3	C1	H5	114.109	N4	C2	H6	114.109
H7	N3	H9	108.786	H8	N4	H10	108.786

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.108
2	C	-0.108
3	N	-0.289
4	N	-0.289
5	H	0.112
6	H	0.112
7	H	0.140
8	H	0.140
9	H	0.145
10	H	0.145

	x	y	z	Total
	0.000	0.000	2.059	2.059
CHELPG
AIM
ESP

	x	y	z
x	5.751	0.082	0.000
y	0.082	9.086	0.000
z	0.000	0.000	4.021

<r²>	97.777
(<r²>)^1/2	9.888

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)