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	hartrees
Energy at 0K	-188.169373
Energy at 298.15K
HF Energy	-188.169373
Nuclear repulsion energy	118.573073

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	3830	3487	3.38	76.99	0.74	0.85
2	A	3740	3405	0.99	245.51	0.04	0.08
3	A	3292	2997	0.01	142.33	0.30	0.46
4	A	1902	1731	0.16	95.77	0.11	0.21
5	A	1779	1620	21.97	5.01	0.53	0.70
6	A	1450	1320	0.61	29.28	0.25	0.40
7	A	1372	1249	0.02	12.97	0.55	0.71
8	A	1105	1006	0.81	11.31	0.10	0.19
9	A	1048	954	77.51	0.85	0.36	0.53
10	A	859	782	139.56	3.03	0.34	0.51
11	A	590	537	1.78	8.48	0.17	0.29
12	A	332	303	5.25	1.89	0.34	0.50
13	A	253	231	13.45	0.43	0.75	0.86
14	B	3829	3486	13.98	28.23	0.75	0.86
15	B	3739	3404	10.04	45.24	0.75	0.86
16	B	3294	2999	47.23	0.01	0.75	0.86
17	B	1789	1629	61.15	2.15	0.75	0.86
18	B	1508	1373	8.01	0.23	0.75	0.86
19	B	1225	1115	136.31	0.04	0.75	0.86
20	B	1216	1107	1.31	0.76	0.75	0.86
21	B	945	860	68.17	13.99	0.75	0.86
22	B	800	728	286.82	0.08	0.75	0.86
23	B	352	320	17.55	0.15	0.75	0.86
24	B	244	222	120.96	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.581	0.017
C2	-0.310	-0.581	0.017
N3	-0.310	1.842	-0.093
N4	0.310	-1.842	-0.093
H5	1.385	0.621	0.019
H6	-1.385	-0.621	0.019
H7	-1.304	1.793	-0.065
H8	1.304	-1.793	-0.065
H9	0.011	2.489	0.593
H10	-0.011	-2.489	0.593

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3166	1.4092	2.4249	1.0762	2.0781	2.0206	2.5752	2.0158	3.1400
C2	1.3166		2.4249	1.4092	2.0781	1.0762	2.5752	2.0206	3.1400	2.0158
N3	1.4092	2.4249		3.7349	2.0917	2.6897	0.9962	3.9772	0.9965	4.3950
N4	2.4249	1.4092	3.7349		2.6897	2.0917	3.9772	0.9962	4.3950	0.9965
H5	1.0762	2.0781	2.0917	2.6897		3.0364	2.9352	2.4172	2.3892	3.4574
H6	2.0781	1.0762	2.6897	2.0917	3.0364		2.4172	2.9352	3.4574	2.3892
H7	2.0206	2.5752	0.9962	3.9772	2.9352	2.4172		4.4348	1.6275	4.5217
H8	2.5752	2.0206	3.9772	0.9962	2.4172	2.9352	4.4348		4.5217	1.6275
H9	2.0158	3.1400	0.9965	4.3950	2.3892	3.4574	1.6275	4.5217		4.9784
H10	3.1400	2.0158	4.3950	0.9965	3.4574	2.3892	4.5217	1.6275	4.9784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.616	C1	C2	H6	120.235
C1	N3	H7	113.168	C1	N3	H9	112.719
C2	C1	N3	125.616	C2	C1	H5	120.235
C2	N4	H8	113.168	C2	N4	H10	112.719
N3	C1	H5	113.953	N4	C2	H6	113.953
H7	N3	H9	109.516	H8	N4	H10	109.516

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/aug-cc-pVTZ

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	-0.226
2	C	-0.226
3	N	-0.514
4	N	-0.514
5	H	0.531
6	H	0.531
7	H	0.124
8	H	0.124
9	H	0.085
10	H	0.085

	x	y	z	Total
	0.000	0.000	2.153	2.153
CHELPG
AIM
ESP

	x	y	z
x	5.824	0.263	0.000
y	0.263	8.938	0.000
z	0.000	0.000	4.879

<r²>	97.012
(<r²>)^1/2	9.849

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)