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	hartrees
Energy at 0K	-189.144042
Energy at 298.15K
HF Energy	-189.144042
Nuclear repulsion energy	118.025612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3651	2.76
2	A	3557	3557	0.48
3	A	3151	3151	0.06
4	A	1772	1772	0.53
5	A	1640	1640	19.79
6	A	1336	1336	0.38
7	A	1287	1287	0.01
8	A	1036	1036	0.08
9	A	936	936	70.37
10	A	771	771	138.40
11	A	556	556	2.57
12	A	330	330	4.53
13	A	242	242	15.46
14	B	3651	3651	11.71
15	B	3555	3555	5.61
16	B	3155	3155	42.58
17	B	1647	1647	59.39
18	B	1391	1391	10.27
19	B	1194	1194	133.38
20	B	1120	1120	1.25
21	B	825	825	53.00
22	B	713	713	306.16
23	B	343	343	33.53
24	B	247	247	98.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.034
C2	-0.311	-0.589	0.034
N3	-0.311	1.841	-0.106
N4	0.311	-1.841	-0.106
H5	1.397	0.631	0.036
H6	-1.397	-0.631	0.036
H7	-1.318	1.790	-0.049
H8	1.318	-1.790	-0.049
H9	0.029	2.528	0.551
H10	-0.029	-2.528	0.551

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3320	1.4048	2.4338	1.0872	2.0990	2.0260	2.5852	2.0267	3.1779
C2	1.3320		2.4338	1.4048	2.0990	1.0872	2.5852	2.0260	3.1779	2.0267
N3	1.4048	2.4338		3.7337	2.0981	2.7035	1.0102	3.9803	1.0101	4.4272
N4	2.4338	1.4048	3.7337		2.7035	2.0981	3.9803	1.0102	4.4272	1.0101
H5	1.0872	2.0990	2.0981	2.7035		3.0661	2.9540	2.4240	2.3955	3.5041
H6	2.0990	1.0872	2.7035	2.0981	3.0661		2.4240	2.9540	3.5041	2.3955
H7	2.0260	2.5852	1.0102	3.9803	2.9540	2.4240		4.4467	1.6489	4.5468
H8	2.5852	2.0260	3.9803	1.0102	2.4240	2.9540	4.4467		4.5468	1.6489
H9	2.0267	3.1779	1.0101	4.4272	2.3955	3.5041	1.6489	4.5468		5.0568
H10	3.1779	2.0267	4.4272	1.0101	3.5041	2.3955	4.5468	1.6489	5.0568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.546	C1	C2	H6	120.037
C1	N3	H7	113.035	C1	N3	H9	113.105
C2	C1	N3	125.546	C2	C1	H5	120.037
C2	N4	H8	113.035	C2	N4	H10	113.105
N3	C1	H5	114.090	N4	C2	H6	114.090
H7	N3	H9	109.408	H8	N4	H10	109.408

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	0.373
2	C	0.373
3	N	-0.830
4	N	-0.830
5	H	0.104
6	H	0.104
7	H	0.173
8	H	0.173
9	H	0.182
10	H	0.182

	x	y	z	Total
	0.000	0.000	2.001	2.001
CHELPG
AIM
ESP

	x	y	z
x	6.101	0.055	0.000
y	0.055	9.822	0.000
z	0.000	0.000	5.070

<r²>	97.406
(<r²>)^1/2	9.869

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)