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	hartrees
Energy at 0K	-188.242984
Energy at 298.15K
HF Energy	-188.242984
Nuclear repulsion energy	116.899090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3564	3428	0.64
2	A	3455	3324	0.78
3	A	3148	3028	0.12
4	A	1741	1675	0.29
5	A	1705	1640	14.93
6	A	1360	1308	1.75
7	A	1284	1235	0.02
8	A	1021	982	0.26
9	A	951	915	76.99
10	A	600	578	294.56
11	A	557	536	29.10
12	A	352	339	2.47
13	A	249	240	25.61
14	B	3563	3428	1.51
15	B	3453	3322	0.72
16	B	3154	3034	53.95
17	B	1708	1643	58.57
18	B	1410	1356	3.13
19	B	1171	1126	94.48
20	B	1137	1094	12.80
21	B	812	781	19.65
22	B	526	506	368.23
23	B	342	329	34.16
24	B	209	201	217.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.042
C2	-0.313	-0.594	0.042
N3	-0.313	1.857	-0.094
N4	0.313	-1.857	-0.094
H5	1.400	0.633	0.052
H6	-1.400	-0.633	0.052
H7	-1.328	1.842	-0.171
H8	1.328	-1.842	-0.171
H9	0.029	2.592	0.524
H10	-0.029	-2.592	0.524

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3422	1.4168	2.4546	1.0880	2.1073	2.0731	2.6473	2.0751	3.2398
C2	1.3422		2.4546	1.4168	2.1073	1.0880	2.6473	2.0731	3.2398	2.0751
N3	1.4168	2.4546		3.7670	2.1107	2.7213	1.0183	4.0478	1.0188	4.5007
N4	2.4546	1.4168	3.7670		2.7213	2.1107	4.0478	1.0183	4.5007	1.0188
H5	1.0880	2.1073	2.1107	2.7213		3.0735	2.9926	2.4861	2.4372	3.5590
H6	2.1073	1.0880	2.7213	2.1107	3.0735		2.4861	2.9926	3.5590	2.4372
H7	2.0731	2.6473	1.0183	4.0478	2.9926	2.4861		4.5419	1.6993	4.6722
H8	2.6473	2.0731	4.0478	1.0183	2.4861	2.9926	4.5419		4.6722	1.6993
H9	2.0751	3.2398	1.0188	4.5007	2.4372	3.5590	1.6993	4.6722		5.1838
H10	3.2398	2.0751	4.5007	1.0188	3.5590	2.4372	4.6722	1.6993	5.1838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.648	C1	C2	H6	119.888
C1	N3	H7	115.749	C1	N3	H9	115.895
C2	C1	N3	125.648	C2	C1	H5	119.888
C2	N4	H8	115.749	C2	N4	H10	115.895
N3	C1	H5	114.210	N4	C2	H6	114.210
H7	N3	H9	113.060	H8	N4	H10	113.060

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/3-21G*

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	-0.011
2	C	-0.011
3	N	-0.717
4	N	-0.717
5	H	0.171
6	H	0.171
7	H	0.279
8	H	0.279
9	H	0.278
10	H	0.278

	x	y	z	Total
	0.000	0.000	2.061	2.061
CHELPG
AIM
ESP

	x	y	z
x	4.692	0.123	0.000
y	0.123	8.199	0.000
z	0.000	0.000	1.788

<r²>	98.589
(<r²>)^1/2	9.929

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)