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	hartrees
Energy at 0K	-189.241181
Energy at 298.15K
HF Energy	-189.241181
Nuclear repulsion energy	117.709357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3485	1.16
2	A	3527	3391	1.92
3	A	3151	3029	0.06
4	A	1773	1705	0.18
5	A	1640	1577	20.61
6	A	1333	1282	0.66
7	A	1292	1242	0.05
8	A	1040	1000	0.62
9	A	950	913	47.89
10	A	818	786	132.30
11	A	556	535	1.10
12	A	339	326	0.59
13	A	254	244	16.13
14	B	3624	3484	3.98
15	B	3525	3389	0.28
16	B	3153	3032	48.21
17	B	1647	1583	44.12
18	B	1392	1338	9.81
19	B	1197	1151	89.37
20	B	1124	1081	0.77
21	B	820	788	97.63
22	B	749	720	323.92
23	B	353	340	46.75
24	B	256	246	82.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.591	0.034
C2	-0.311	-0.591	0.034
N3	-0.311	1.848	-0.111
N4	0.311	-1.848	-0.111
H5	1.399	0.636	0.036
H6	-1.399	-0.636	0.036
H7	-1.319	1.784	-0.038
H8	1.319	-1.784	-0.038
H9	0.019	2.520	0.573
H10	-0.019	-2.520	0.573

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3361	1.4096	2.4441	1.0895	2.1051	2.0205	2.5813	2.0232	3.1745
C2	1.3361		2.4441	1.4096	2.1051	1.0895	2.5813	2.0205	3.1745	2.0232
N3	1.4096	2.4441		3.7486	2.1010	2.7167	1.0128	3.9816	1.0131	4.4308
N4	2.4441	1.4096	3.7486		2.7167	2.1010	3.9816	1.0128	4.4308	1.0131
H5	1.0895	2.1051	2.1010	2.7167		3.0743	2.9512	2.4227	2.3956	3.5015
H6	2.1051	1.0895	2.7167	2.1010	3.0743		2.4227	2.9512	3.5015	2.3956
H7	2.0205	2.5813	1.0128	3.9816	2.9512	2.4227		4.4368	1.6447	4.5367
H8	2.5813	2.0205	3.9816	1.0128	2.4227	2.9512	4.4368		4.5367	1.6447
H9	2.0232	3.1745	1.0131	4.4308	2.3956	3.5015	1.6447	4.5367		5.0395
H10	3.1745	2.0232	4.4308	1.0131	3.5015	2.3956	4.5367	1.6447	5.0395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.761	C1	C2	H6	120.082
C1	N3	H7	111.999	C1	N3	H9	112.213
C2	C1	N3	125.761	C2	C1	H5	120.082
C2	N4	H8	111.999	C2	N4	H10	112.213
N3	C1	H5	113.817	N4	C2	H6	113.817
H7	N3	H9	108.547	H8	N4	H10	108.547

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.055
2	C	-0.055
3	N	-0.562
4	N	-0.562
5	H	0.105
6	H	0.105
7	H	0.255
8	H	0.255
9	H	0.257
10	H	0.257

	x	y	z	Total
	0.000	0.000	2.106	2.106
CHELPG
AIM
ESP

	x	y	z
x	5.356	0.053	0.000
y	0.053	8.654	0.000
z	0.000	0.000	3.191

<r²>	97.207
(<r²>)^1/2	9.859

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)