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	hartrees
Energy at 0K	-189.259221
Energy at 298.15K
HF Energy	-189.259221
Nuclear repulsion energy	117.368132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3616	1.87
2	A	3516	3516	0.08
3	A	3156	3156	0.06
4	A	1761	1761	0.55
5	A	1623	1623	18.26
6	A	1324	1324	0.38
7	A	1278	1278	0.01
8	A	1031	1031	0.03
9	A	927	927	67.28
10	A	775	775	128.32
11	A	551	551	1.89
12	A	324	324	3.85
13	A	242	242	14.80
14	B	3616	3616	7.48
15	B	3514	3514	2.54
16	B	3160	3160	46.06
17	B	1631	1631	52.01
18	B	1380	1380	10.38
19	B	1184	1184	129.43
20	B	1115	1115	1.31
21	B	813	813	55.18
22	B	719	719	295.63
23	B	341	341	33.41
24	B	246	246	93.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.036
C2	-0.313	-0.594	0.036
N3	-0.313	1.851	-0.110
N4	0.313	-1.851	-0.110
H5	1.406	0.639	0.037
H6	-1.406	-0.639	0.037
H7	-1.324	1.795	-0.042
H8	1.324	-1.795	-0.042
H9	0.025	2.537	0.558
H10	-0.025	-2.537	0.558

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3423	1.4122	2.4489	1.0934	2.1148	2.0323	2.5947	2.0332	3.1921
C2	1.3423		2.4489	1.4122	2.1148	1.0934	2.5947	2.0323	3.1921	2.0332
N3	1.4122	2.4489		3.7546	2.1085	2.7226	1.0151	3.9971	1.0153	4.4481
N4	2.4489	1.4122	3.7546		2.7226	2.1085	3.9971	1.0151	4.4481	1.0153
H5	1.0934	2.1148	2.1085	2.7226		3.0878	2.9658	2.4358	2.4050	3.5218
H6	2.1148	1.0934	2.7226	2.1085	3.0878		2.4358	2.9658	3.5218	2.4050
H7	2.0323	2.5947	1.0151	3.9971	2.9658	2.4358		4.4609	1.6525	4.5623
H8	2.5947	2.0323	3.9971	1.0151	2.4358	2.9658	4.4609		4.5623	1.6525
H9	2.0332	3.1921	1.0153	4.4481	2.4050	3.5218	1.6525	4.5623		5.0748
H10	3.1921	2.0332	4.4481	1.0153	3.5218	2.4050	4.5623	1.6525	5.0748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.490	C1	C2	H6	120.168
C1	N3	H7	112.676	C1	N3	H9	112.746
C2	C1	N3	125.490	C2	C1	H5	120.168
C2	N4	H8	112.676	C2	N4	H10	112.746
N3	C1	H5	113.994	N4	C2	H6	113.994
H7	N3	H9	108.953	H8	N4	H10	108.953

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/daug-cc-pVDZ

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	0.424
2	C	0.424
3	N	0.410
4	N	0.410
5	H	-0.771
6	H	-0.771
7	H	-0.078
8	H	-0.078
9	H	0.015
10	H	0.015

	x	y	z	Total
	0.000	0.000	2.014	2.014
CHELPG
AIM
ESP

	x	y	z
x	6.394	-0.041	0.000
y	-0.041	10.326	0.000
z	0.000	0.000	5.329

<r²>	98.349
(<r²>)^1/2	9.917

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)