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	hartrees
Energy at 0K	-189.156525
Energy at 298.15K
HF Energy	-189.156525
Nuclear repulsion energy	117.964153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3501	2.27
2	A	3548	3406	1.90
3	A	3156	3030	0.05
4	A	1773	1702	1.26
5	A	1652	1586	24.09
6	A	1340	1287	0.35
7	A	1290	1238	0.08
8	A	1042	1000	0.14
9	A	936	899	72.87
10	A	777	746	170.46
11	A	559	536	2.76
12	A	333	319	3.56
13	A	249	239	19.39
14	B	3646	3501	6.51
15	B	3546	3405	3.17
16	B	3160	3034	48.28
17	B	1659	1593	66.87
18	B	1396	1341	7.99
19	B	1194	1146	126.70
20	B	1130	1085	1.28
21	B	818	786	53.93
22	B	717	689	349.69
23	B	345	331	36.73
24	B	247	237	113.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.590	0.040
C2	-0.311	-0.590	0.040
N3	-0.311	1.841	-0.108
N4	0.311	-1.841	-0.108
H5	1.398	0.632	0.042
H6	-1.398	-0.632	0.042
H7	-1.319	1.789	-0.084
H8	1.319	-1.789	-0.084
H9	0.012	2.528	0.559
H10	-0.012	-2.528	0.559

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3331	1.4052	2.4356	1.0879	2.1004	2.0274	2.5867	2.0292	3.1774
C2	1.3331		2.4356	1.4052	2.1004	1.0879	2.5867	2.0274	3.1774	2.0292
N3	1.4052	2.4356		3.7349	2.0984	2.7062	1.0103	3.9796	1.0105	4.4305
N4	2.4356	1.4052	3.7349		2.7062	2.0984	3.9796	1.0103	4.4305	1.0105
H5	1.0879	2.1004	2.0984	2.7062		3.0681	2.9557	2.4258	2.4050	3.4989
H6	2.1004	1.0879	2.7062	2.0984	3.0681		2.4258	2.9557	3.4989	2.4050
H7	2.0274	2.5867	1.0103	3.9796	2.9557	2.4258		4.4458	1.6528	4.5567
H8	2.5867	2.0274	3.9796	1.0103	2.4258	2.9557	4.4458		4.5567	1.6528
H9	2.0292	3.1774	1.0105	4.4305	2.4050	3.4989	1.6528	4.5567		5.0567
H10	3.1774	2.0292	4.4305	1.0105	3.4989	2.4050	4.5567	1.6528	5.0567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.597	C1	C2	H6	120.016
C1	N3	H7	113.123	C1	N3	H9	113.271
C2	C1	N3	125.597	C2	C1	H5	120.016
C2	N4	H8	113.123	C2	N4	H10	113.271
N3	C1	H5	114.031	N4	C2	H6	114.031
H7	N3	H9	109.748	H8	N4	H10	109.748

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/TZVP

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	-0.126
2	C	-0.126
3	N	-0.395
4	N	-0.395
5	H	0.105
6	H	0.105
7	H	0.202
8	H	0.202
9	H	0.214
10	H	0.214

	x	y	z	Total
	0.000	0.000	2.111	2.111
CHELPG
AIM
ESP

	x	y	z
x	5.612	0.203	0.000
y	0.203	9.172	0.000
z	0.000	0.000	4.186

<r²>	97.352
(<r²>)^1/2	9.867

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)