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	hartrees
Energy at 0K	-34.685107
Energy at 298.15K
HF Energy	-34.685107
Nuclear repulsion energy	65.975936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3659	0.78
2	A	3551	3551	1.97
3	A	3175	3175	0.00
4	A	1779	1779	0.42
5	A	1670	1670	33.86
6	A	1317	1317	0.01
7	A	1278	1278	0.45
8	A	1042	1042	0.01
9	A	933	933	105.36
10	A	834	834	149.61
11	A	543	543	1.57
12	A	320	320	1.76
13	A	249	249	19.21
14	B	3658	3658	1.76
15	B	3550	3550	0.36
16	B	3179	3179	72.66
17	B	1683	1683	60.49
18	B	1381	1381	9.93
19	B	1178	1178	129.55
20	B	1118	1118	2.82
21	B	800	800	218.88
22	B	758	758	259.46
23	B	336	336	43.76
24	B	248	248	121.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.602	0.034
C2	-0.322	-0.602	0.034
N3	-0.322	1.874	-0.112
N4	0.322	-1.874	-0.112
H5	1.417	0.652	0.025
H6	-1.417	-0.652	0.025
H7	-1.336	1.788	-0.036
H8	1.336	-1.788	-0.036
H9	0.003	2.538	0.591
H10	-0.003	-2.538	0.591

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3667	1.4334	2.4810	1.0957	2.1448	2.0398	2.5976	2.0390	3.2058
C2	1.3667		2.4810	1.4334	2.1448	1.0957	2.5976	2.0398	3.2058	2.0390
N3	1.4334	2.4810		3.8035	2.1302	2.7568	1.0200	4.0211	1.0200	4.4792
N4	2.4810	1.4334	3.8035		2.7568	2.1302	4.0211	1.0200	4.4792	1.0200
H5	1.0957	2.1448	2.1302	2.7568		3.1198	2.9786	2.4426	2.4240	3.5372
H6	2.1448	1.0957	2.7568	2.1302	3.1198		2.4426	2.9786	3.5372	2.4240
H7	2.0398	2.5976	1.0200	4.0211	2.9786	2.4426		4.4642	1.6570	4.5701
H8	2.5976	2.0398	4.0211	1.0200	2.4426	2.9786	4.4642		4.5701	1.6570
H9	2.0390	3.2058	1.0200	4.4792	2.4240	3.5372	1.6570	4.5701		5.0758
H10	3.2058	2.0390	4.4792	1.0200	3.5372	2.4240	4.5701	1.6570	5.0758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.746	C1	C2	H6	120.758
C1	N3	H7	111.379	C1	N3	H9	111.307
C2	C1	N3	124.746	C2	C1	H5	120.758
C2	N4	H8	111.379	C2	N4	H10	111.307
N3	C1	H5	114.094	N4	C2	H6	114.094
H7	N3	H9	108.645	H8	N4	H10	108.645

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/CEP-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	-0.319
2	C	-0.319
3	N	-0.472
4	N	-0.472
5	H	0.231
6	H	0.231
7	H	0.275
8	H	0.275
9	H	0.286
10	H	0.286

	x	y	z	Total
	0.000	0.000	2.588	2.588
CHELPG
AIM
ESP

	x	y	z
x	5.074	0.397	0.000
y	0.397	8.693	0.000
z	0.000	0.000	3.271

<r²>	83.250
(<r²>)^1/2	9.124

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)