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	hartrees
Energy at 0K	-189.068278
Energy at 298.15K
HF Energy	-188.875663
Nuclear repulsion energy	117.340342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3608	3425	0.46
2	A	3508	3329	1.11
3	A	3190	3028	0.13
4	A	1782	1692	0.00
5	A	1693	1607	27.97
6	A	1361	1292	0.77
7	A	1310	1243	0.01
8	A	1060	1006	2.05
9	A	951	902	60.62
10	A	863	819	147.26
11	A	559	530	0.96
12	A	331	314	0.01
13	A	256	243	19.94
14	B	3608	3424	1.33
15	B	3506	3328	0.08
16	B	3191	3029	51.21
17	B	1703	1617	46.22
18	B	1423	1351	8.29
19	B	1200	1139	72.89
20	B	1153	1095	0.67
21	B	822	780	356.68
22	B	773	734	120.10
23	B	351	333	48.18
24	B	257	244	97.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.592	0.037
C2	-0.314	-0.592	0.037
N3	-0.314	1.854	-0.113
N4	0.314	-1.854	-0.113
H5	1.401	0.639	0.037
H6	-1.401	-0.639	0.037
H7	-1.326	1.777	-0.064
H8	1.326	-1.777	-0.064
H9	-0.009	2.516	0.596
H10	0.009	-2.516	0.596

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3408	1.4169	2.4510	1.0882	2.1114	2.0250	2.5783	2.0288	3.1728
C2	1.3408		2.4510	1.4169	2.1114	1.0882	2.5783	2.0250	3.1728	2.0288
N3	1.4169	2.4510		3.7607	2.1067	2.7243	1.0159	3.9842	1.0161	4.4386
N4	2.4510	1.4169	3.7607		2.7243	2.1067	3.9842	1.0159	4.4386	1.0161
H5	1.0882	2.1114	2.1067	2.7243		3.0801	2.9561	2.4197	2.4125	3.4936
H6	2.1114	1.0882	2.7243	2.1067	3.0801		2.4197	2.9561	3.4936	2.4125
H7	2.0250	2.5783	1.0159	3.9842	2.9561	2.4197		4.4338	1.6474	4.5435
H8	2.5783	2.0250	3.9842	1.0159	2.4197	2.9561	4.4338		4.5435	1.6474
H9	2.0288	3.1728	1.0161	4.4386	2.4125	3.4936	1.6474	4.5435		5.0317
H10	3.1728	2.0288	4.4386	1.0161	3.4936	2.4125	4.5435	1.6474	5.0317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.415	C1	C2	H6	120.382
C1	N3	H7	111.624	C1	N3	H9	111.938
C2	C1	N3	125.415	C2	C1	H5	120.382
C2	N4	H8	111.624	C2	N4	H10	111.938
N3	C1	H5	113.838	N4	C2	H6	113.838
H7	N3	H9	108.335	H8	N4	H10	108.335

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/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	-0.012
2	C	-0.012
3	N	-0.750
4	N	-0.750
5	H	0.130
6	H	0.130
7	H	0.316
8	H	0.316
9	H	0.317
10	H	0.317

	x	y	z	Total
	0.000	0.000	2.456	2.456
CHELPG
AIM
ESP

	x	y	z
x	5.068	0.110	0.000
y	0.110	8.247	0.000
z	0.000	0.000	2.640

<r²>	97.943
(<r²>)^1/2	9.897

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)