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	hartrees
Energy at 0K	-189.198454
Energy at 298.15K
HF Energy	-189.198454
Nuclear repulsion energy	116.843011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3556	3495	1.29
2	A	3448	3389	0.21
3	A	3099	3046	0.08
4	A	1707	1677	0.50
5	A	1623	1595	25.50
6	A	1308	1285	0.66
7	A	1253	1231	0.03
8	A	1013	996	0.39
9	A	891	875	80.76
10	A	775	762	156.99
11	A	543	534	1.94
12	A	321	316	2.42
13	A	238	234	20.87
14	B	3555	3494	3.29
15	B	3445	3386	1.01
16	B	3103	3049	62.84
17	B	1631	1603	57.78
18	B	1364	1341	8.40
19	B	1150	1131	124.36
20	B	1104	1085	2.42
21	B	757	744	129.60
22	B	717	704	278.28
23	B	343	337	38.52
24	B	249	244	101.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.597	0.048
C2	-0.315	-0.597	0.048
N3	-0.315	1.858	-0.117
N4	0.315	-1.858	-0.117
H5	1.408	0.646	0.048
H6	-1.408	-0.646	0.048
H7	-1.331	1.798	-0.078
H8	1.331	-1.798	-0.078
H9	0.004	2.552	0.557
H10	-0.004	-2.552	0.557

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3506	1.4198	2.4610	1.0933	2.1250	2.0413	2.6041	2.0439	3.2059
C2	1.3506		2.4610	1.4198	2.1250	1.0933	2.6041	2.0413	3.2059	2.0439
N3	1.4198	2.4610		3.7699	2.1130	2.7375	1.0178	4.0096	1.0182	4.4725
N4	2.4610	1.4198	3.7699		2.7375	2.1130	4.0096	1.0178	4.4725	1.0182
H5	1.0933	2.1250	2.1130	2.7375		3.0979	2.9731	2.4485	2.4211	3.5329
H6	2.1250	1.0933	2.7375	2.1130	3.0979		2.4485	2.9731	3.5329	2.4211
H7	2.0413	2.6041	1.0178	4.0096	2.9731	2.4485		4.4731	1.6593	4.5918
H8	2.6041	2.0413	4.0096	1.0178	2.4485	2.9731	4.4731		4.5918	1.6593
H9	2.0439	3.2059	1.0182	4.4725	2.4211	3.5329	1.6593	4.5918		5.1042
H10	3.2059	2.0439	4.4725	1.0182	3.5329	2.4211	4.5918	1.6593	5.1042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.304	C1	C2	H6	120.431
C1	N3	H7	112.694	C1	N3	H9	112.901
C2	C1	N3	125.304	C2	C1	H5	120.431
C2	N4	H8	112.694	C2	N4	H10	112.901
N3	C1	H5	113.811	N4	C2	H6	113.811
H7	N3	H9	109.177	H8	N4	H10	109.177

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/6-31+G**

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	-0.120
2	C	-0.120
3	N	-0.564
4	N	-0.564
5	H	0.118
6	H	0.118
7	H	0.280
8	H	0.280
9	H	0.286
10	H	0.286

	x	y	z	Total
	0.000	0.000	2.150	2.150
CHELPG
AIM
ESP

	x	y	z
x	5.905	0.135	0.000
y	0.135	9.944	0.000
z	0.000	0.000	4.867

<r²>	99.173
(<r²>)^1/2	9.959

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)