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	hartrees
Energy at 0K	-188.242981
Energy at 298.15K
HF Energy	-188.242981
Nuclear repulsion energy	116.900415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3565	3439	0.64
2	A	3456	3335	0.78
3	A	3147	3037	0.12
4	A	1741	1680	0.31
5	A	1705	1645	14.84
6	A	1360	1313	1.75
7	A	1284	1239	0.01
8	A	1021	985	0.31
9	A	950	917	76.97
10	A	599	578	294.36
11	A	558	538	30.50
12	A	351	339	2.75
13	A	249	240	25.26
14	B	3564	3439	1.52
15	B	3454	3332	0.75
16	B	3153	3043	53.99
17	B	1708	1648	58.74
18	B	1410	1361	3.12
19	B	1171	1130	95.15
20	B	1137	1097	12.71
21	B	811	782	19.62
22	B	525	507	365.59
23	B	342	330	33.52
24	B	207	200	219.57

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	0.030	2.592	0.523
H10	-0.030	-2.592	0.523

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3422	1.4167	2.4546	1.0880	2.1072	2.0733	2.6477	2.0752	3.2402
C2	1.3422		2.4546	1.4167	2.1072	1.0880	2.6477	2.0733	3.2402	2.0752
N3	1.4167	2.4546		3.7669	2.1106	2.7212	1.0183	4.0481	1.0188	4.5010
N4	2.4546	1.4167	3.7669		2.7212	2.1106	4.0481	1.0183	4.5010	1.0188
H5	1.0880	2.1072	2.1106	2.7212		3.0734	2.9927	2.4865	2.4371	3.5595
H6	2.1072	1.0880	2.7212	2.1106	3.0734		2.4865	2.9927	3.5595	2.4371
H7	2.0733	2.6477	1.0183	4.0481	2.9927	2.4865		4.5424	1.6994	4.6728
H8	2.6477	2.0733	4.0481	1.0183	2.4865	2.9927	4.5424		4.6728	1.6994
H9	2.0752	3.2402	1.0188	4.5010	2.4371	3.5595	1.6994	4.6728		5.1850
H10	3.2402	2.0752	4.5010	1.0188	3.5595	2.4371	4.6728	1.6994	5.1850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.654	C1	C2	H6	119.880
C1	N3	H7	115.773	C1	N3	H9	115.917
C2	C1	N3	125.654	C2	C1	H5	119.880
C2	N4	H8	115.773	C2	N4	H10	115.917
N3	C1	H5	114.210	N4	C2	H6	114.210
H7	N3	H9	113.073	H8	N4	H10	113.073

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYPultrafine/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	2.057	2.057
CHELPG
AIM
ESP

	x	y	z
x	4.691	0.123	0.000
y	0.123	8.200	0.000
z	0.000	0.000	1.786

<r²>	98.589
(<r²>)^1/2	9.929

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)