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	hartrees
Energy at 0K	-189.011402
Energy at 298.15K
HF Energy	-189.011402
Nuclear repulsion energy	117.552889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3610	4.69
2	A	3649	3488	0.87
3	A	3189	3049	0.24
4	A	1801	1722	2.51
5	A	1708	1632	8.22
6	A	1369	1308	1.43
7	A	1307	1249	1.51
8	A	1029	983	0.99
9	A	949	907	80.19
10	A	578	552	29.66
11	A	459	439	490.71
12	A	351	336	46.05
13	A	233	223	31.14
14	B	3776	3610	13.87
15	B	3647	3486	21.09
16	B	3193	3052	64.24
17	B	1710	1635	116.27
18	B	1415	1352	9.75
19	B	1241	1187	184.80
20	B	1117	1068	5.54
21	B	826	790	23.82
22	B	409	391	210.00
23	B	328	314	5.49
24	B	170	163	211.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.594	0.050
C2	-0.315	-0.594	0.050
N3	-0.315	1.840	-0.076
N4	0.315	-1.840	-0.076
H5	1.402	0.638	0.063
H6	-1.402	-0.638	0.063
H7	-1.304	1.868	-0.256
H8	1.304	-1.868	-0.256
H9	0.063	2.627	0.422
H10	-0.063	-2.627	0.422

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3447	1.4010	2.4372	1.0887	2.1131	2.0818	2.6709	2.0820	3.2647
C2	1.3447		2.4372	1.4010	2.1131	1.0887	2.6709	2.0818	3.2647	2.0820
N3	1.4010	2.4372		3.7328	2.1004	2.7092	1.0057	4.0492	1.0052	4.5016
N4	2.4372	1.4010	3.7328		2.7092	2.1004	4.0492	1.0057	4.5016	1.0052
H5	1.0887	2.1131	2.1004	2.7092		3.0808	2.9894	2.5276	2.4253	3.5963
H6	2.1131	1.0887	2.7092	2.1004	3.0808		2.5276	2.9894	3.5963	2.4253
H7	2.0818	2.6709	1.0057	4.0492	2.9894	2.5276		4.5553	1.7040	4.7122
H8	2.6709	2.0818	4.0492	1.0057	2.5276	2.9894	4.5553		4.7122	1.7040
H9	2.0820	3.2647	1.0052	4.5016	2.4253	3.5963	1.7040	4.7122		5.2559
H10	3.2647	2.0820	4.5016	1.0052	3.5963	2.4253	4.7122	1.7040	5.2559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.147	C1	C2	H6	120.173
C1	N3	H7	118.847	C1	N3	H9	118.911
C2	C1	N3	125.147	C2	C1	H5	120.173
C2	N4	H8	118.847	C2	N4	H10	118.911
N3	C1	H5	114.476	N4	C2	H6	114.476
H7	N3	H9	115.849	H8	N4	H10	115.849

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBE1PBE/6-31G

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	0.025
2	C	0.025
3	N	-0.808
4	N	-0.808
5	H	0.143
6	H	0.143
7	H	0.321
8	H	0.321
9	H	0.319
10	H	0.319

	x	y	z	Total
	0.000	0.000	1.442	1.442
CHELPG
AIM
ESP

	x	y	z
x	4.803	0.201	0.000
y	0.201	8.345	0.000
z	0.000	0.000	2.111

<r²>	97.812
(<r²>)^1/2	9.890

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)