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	hartrees
Energy at 0K	-189.251392
Energy at 298.15K
HF Energy	-189.251392
Nuclear repulsion energy	117.190294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3486	0.78
2	A	3437	3387	0.40
3	A	3082	3038	0.07
4	A	1701	1677	0.67
5	A	1622	1599	22.96
6	A	1312	1293	0.39
7	A	1255	1237	0.01
8	A	1014	1000	0.79
9	A	896	883	71.64
10	A	778	767	146.88
11	A	546	538	1.29
12	A	328	324	2.22
13	A	240	237	19.48
14	B	3536	3485	1.62
15	B	3435	3385	0.68
16	B	3087	3043	58.96
17	B	1629	1605	50.23
18	B	1370	1350	7.66
19	B	1144	1128	102.17
20	B	1114	1097	2.31
21	B	763	752	86.17
22	B	721	710	334.54
23	B	348	343	38.81
24	B	250	246	99.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.048
C2	-0.313	-0.594	0.048
N3	-0.313	1.854	-0.117
N4	0.313	-1.854	-0.117
H5	1.403	0.640	0.051
H6	-1.403	-0.640	0.051
H7	-1.326	1.793	-0.079
H8	1.326	-1.793	-0.079
H9	0.006	2.545	0.556
H10	-0.006	-2.545	0.556

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3434	1.4166	2.4534	1.0911	2.1147	2.0353	2.5965	2.0388	3.1955
C2	1.3434		2.4534	1.4166	2.1147	1.0911	2.5965	2.0353	3.1955	2.0388
N3	1.4166	2.4534		3.7600	2.1089	2.7272	1.0154	3.9988	1.0159	4.4602
N4	2.4534	1.4166	3.7600		2.7272	2.1089	3.9988	1.0154	4.4602	1.0159
H5	1.0911	2.1147	2.1089	2.7272		3.0854	2.9660	2.4384	2.4156	3.5194
H6	2.1147	1.0911	2.7272	2.1089	3.0854		2.4384	2.9660	3.5194	2.4156
H7	2.0353	2.5965	1.0154	3.9988	2.9660	2.4384		4.4608	1.6559	4.5787
H8	2.5965	2.0353	3.9988	1.0154	2.4384	2.9660	4.4608		4.5787	1.6559
H9	2.0388	3.1955	1.0159	4.4602	2.4156	3.5194	1.6559	4.5787		5.0894
H10	3.1955	2.0388	4.4602	1.0159	3.5194	2.4156	4.5787	1.6559	5.0894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.457	C1	C2	H6	120.242
C1	N3	H7	112.585	C1	N3	H9	112.862
C2	C1	N3	125.457	C2	C1	H5	120.242
C2	N4	H8	112.585	C2	N4	H10	112.862
N3	C1	H5	113.862	N4	C2	H6	113.862
H7	N3	H9	109.211	H8	N4	H10	109.211

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/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	-0.110
2	C	-0.110
3	N	-0.372
4	N	-0.372
5	H	0.084
6	H	0.084
7	H	0.193
8	H	0.193
9	H	0.206
10	H	0.206

	x	y	z	Total
	0.000	0.000	2.064	2.064
CHELPG
AIM
ESP

	x	y	z
x	5.840	0.096	0.000
y	0.096	9.697	0.000
z	0.000	0.000	4.319

<r²>	98.450
(<r²>)^1/2	9.922

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)