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	hartrees
Energy at 0K	-188.011295
Energy at 298.15K
HF Energy	-188.011295
Nuclear repulsion energy	118.269361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3966	3581	9.05	106.66	0.70	0.82
2	A	3839	3466	1.80	227.50	0.09	0.17
3	A	3337	3013	0.19	155.73	0.30	0.46
4	A	1925	1738	1.43	65.34	0.22	0.36
5	A	1835	1657	9.28	11.32	0.71	0.83
6	A	1482	1338	1.40	27.00	0.43	0.60
7	A	1376	1243	0.92	7.58	0.73	0.85
8	A	1097	991	6.41	6.72	0.35	0.52
9	A	1066	962	85.35	0.67	0.32	0.48
10	A	614	554	28.72	9.51	0.28	0.43
11	A	485	438	540.37	3.12	0.03	0.07
12	A	338	306	57.22	3.51	0.75	0.86
13	A	239	216	27.82	4.08	0.73	0.85
14	B	3966	3581	23.68	34.42	0.75	0.86
15	B	3838	3465	25.31	34.58	0.75	0.86
16	B	3339	3015	65.42	0.27	0.75	0.86
17	B	1839	1661	119.16	2.26	0.75	0.86
18	B	1523	1375	6.15	0.62	0.75	0.86
19	B	1264	1141	192.67	0.32	0.75	0.86
20	B	1206	1089	12.43	3.07	0.75	0.86
21	B	952	860	28.77	22.81	0.75	0.86
22	B	432	390	265.91	4.23	0.75	0.86
23	B	344	311	3.94	0.88	0.75	0.86
24	B	73	66	226.89	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.584	0.035
C2	-0.313	-0.584	0.035
N3	-0.313	1.836	-0.063
N4	0.313	-1.836	-0.063
H5	1.388	0.625	0.047
H6	-1.388	-0.625	0.047
H7	-1.279	1.880	-0.282
H8	1.279	-1.880	-0.282
H9	0.045	2.592	0.468
H10	-0.045	-2.592	0.468

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3258	1.4032	2.4224	1.0755	2.0872	2.0772	2.6658	2.0719	3.2261
C2	1.3258		2.4224	1.4032	2.0872	1.0755	2.6658	2.0772	3.2261	2.0719
N3	1.4032	2.4224		3.7253	2.0908	2.6881	0.9915	4.0489	0.9911	4.4684
N4	2.4224	1.4032	3.7253		2.6881	2.0908	4.0489	0.9915	4.4684	0.9911
H5	1.0755	2.0872	2.0908	2.6881		3.0443	2.9657	2.5294	2.4186	3.5473
H6	2.0872	1.0755	2.6881	2.0908	3.0443		2.5294	2.9657	3.5473	2.4186
H7	2.0772	2.6658	0.9915	4.0489	2.9657	2.5294		4.5479	1.6804	4.7000
H8	2.6658	2.0772	4.0489	0.9915	2.5294	2.9657	4.5479		4.7000	1.6804
H9	2.0719	3.2261	0.9911	4.4684	2.4186	3.5473	1.6804	4.7000		5.1856
H10	3.2261	2.0719	4.4684	0.9911	3.5473	2.4186	4.7000	1.6804	5.1856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.133	C1	C2	H6	120.376
C1	N3	H7	119.324	C1	N3	H9	118.834
C2	C1	N3	125.133	C2	C1	H5	120.376
C2	N4	H8	119.324	C2	N4	H10	118.834
N3	C1	H5	114.378	N4	C2	H6	114.378
H7	N3	H9	115.894	H8	N4	H10	115.894

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/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	0.071
2	C	0.071
3	N	-0.923
4	N	-0.923
5	H	0.167
6	H	0.167
7	H	0.345
8	H	0.345
9	H	0.339
10	H	0.339

	x	y	z	Total
	0.000	0.000	1.535	1.535
CHELPG
AIM
ESP

	x	y	z
x	4.571	0.489	0.000
y	0.489	7.552	0.000
z	0.000	0.000	2.058

<r²>	97.469
(<r²>)^1/2	9.873

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)