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	hartrees
Energy at 0K	-189.311191
Energy at 298.15K
HF Energy	-189.311191
Nuclear repulsion energy	117.968541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3650	2.71
2	A	3558	3558	0.24
3	A	3169	3169	0.05
4	A	1783	1783	0.49
5	A	1652	1652	18.68
6	A	1344	1344	0.41
7	A	1289	1289	0.01
8	A	1043	1043	0.30
9	A	934	934	71.00
10	A	775	775	136.93
11	A	562	562	2.17
12	A	334	334	3.85
13	A	244	244	15.06
14	B	3649	3649	10.37
15	B	3556	3556	5.91
16	B	3171	3171	44.92
17	B	1660	1660	58.13
18	B	1396	1396	8.31
19	B	1186	1186	139.82
20	B	1131	1131	1.50
21	B	831	831	53.07
22	B	718	718	299.91
23	B	348	348	24.37
24	B	253	253	105.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.587	0.030
C2	-0.312	-0.587	0.030
N3	-0.312	1.843	-0.103
N4	0.312	-1.843	-0.103
H5	1.396	0.629	0.031
H6	-1.396	-0.629	0.031
H7	-1.318	1.793	-0.050
H8	1.318	-1.793	-0.050
H9	0.028	2.525	0.558
H10	-0.028	-2.525	0.558

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3290	1.4094	2.4338	1.0851	2.0968	2.0292	2.5845	2.0285	3.1741
C2	1.3290		2.4338	1.4094	2.0968	1.0851	2.5845	2.0292	3.1741	2.0285
N3	1.4094	2.4338		3.7392	2.1000	2.7034	1.0090	3.9850	1.0086	4.4270
N4	2.4338	1.4094	3.7392		2.7034	2.1000	3.9850	1.0090	4.4270	1.0086
H5	1.0851	2.0968	2.1000	2.7034		3.0630	2.9543	2.4244	2.3962	3.5005
H6	2.0968	1.0851	2.7034	2.1000	3.0630		2.4244	2.9543	3.5005	2.3962
H7	2.0292	2.5845	1.0090	3.9850	2.9543	2.4244		4.4501	1.6486	4.5466
H8	2.5845	2.0292	3.9850	1.0090	2.4244	2.9543	4.4501		4.5466	1.6486
H9	2.0285	3.1741	1.0086	4.4270	2.3962	3.5005	1.6486	4.5466		5.0496
H10	3.1741	2.0285	4.4270	1.0086	3.5005	2.3962	4.5466	1.6486	5.0496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.412	C1	C2	H6	120.249
C1	N3	H7	113.047	C1	N3	H9	113.005
C2	C1	N3	125.412	C2	C1	H5	120.249
C2	N4	H8	113.047	C2	N4	H10	113.005
N3	C1	H5	114.043	N4	C2	H6	114.043
H7	N3	H9	109.600	H8	N4	H10	109.600

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/daug-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	-0.515
2	C	-0.515
3	N	-0.524
4	N	-0.524
5	H	0.657
6	H	0.657
7	H	0.174
8	H	0.174
9	H	0.208
10	H	0.208

	x	y	z	Total
	0.000	0.000	2.031	2.031
CHELPG
AIM
ESP

	x	y	z
x	6.273	0.037	0.000
y	0.037	9.966	0.000
z	0.000	0.000	5.290

<r²>	97.494
(<r²>)^1/2	9.874

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)