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	hartrees
Energy at 0K	-189.174105
Energy at 298.15K
HF Energy	-188.938131
Nuclear repulsion energy	117.471449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3621	0.89
2	A	3526	3526	0.96
3	A	3160	3160	0.01
4	A	1755	1755	0.04
5	A	1652	1652	24.65
6	A	1340	1340	0.69
7	A	1293	1293	0.00
8	A	1044	1044	0.77
9	A	933	933	81.70
10	A	831	831	131.77
11	A	555	555	1.08
12	A	326	326	1.23
13	A	250	250	17.09
14	B	3620	3620	1.83
15	B	3524	3524	0.50
16	B	3163	3163	51.30
17	B	1661	1661	50.72
18	B	1401	1401	7.57
19	B	1183	1183	92.19
20	B	1139	1139	0.80
21	B	806	806	209.14
22	B	760	760	226.78
23	B	344	344	35.11
24	B	248	248	98.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.592	0.037
C2	-0.313	-0.592	0.037
N3	-0.313	1.853	-0.112
N4	0.313	-1.853	-0.112
H5	1.399	0.634	0.038
H6	-1.399	-0.634	0.038
H7	-1.322	1.781	-0.060
H8	1.322	-1.781	-0.060
H9	0.002	2.519	0.583
H10	-0.002	-2.519	0.583

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3392	1.4158	2.4492	1.0870	2.1062	2.0243	2.5805	2.0266	3.1737
C2	1.3392		2.4492	1.4158	2.1062	1.0870	2.5805	2.0243	3.1737	2.0266
N3	1.4158	2.4492		3.7583	2.1069	2.7182	1.0126	3.9854	1.0127	4.4372
N4	2.4492	1.4158	3.7583		2.7182	2.1069	3.9854	1.0126	4.4372	1.0127
H5	1.0870	2.1062	2.1069	2.7182		3.0728	2.9546	2.4190	2.4082	3.4933
H6	2.1062	1.0870	2.7182	2.1069	3.0728		2.4190	2.9546	3.4933	2.4082
H7	2.0243	2.5805	1.0126	3.9854	2.9546	2.4190		4.4365	1.6462	4.5436
H8	2.5805	2.0243	3.9854	1.0126	2.4190	2.9546	4.4365		4.5436	1.6462
H9	2.0266	3.1737	1.0127	4.4372	2.4082	3.4933	1.6462	4.5436		5.0372
H10	3.1737	2.0266	4.4372	1.0127	3.4933	2.4082	4.5436	1.6462	5.0372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.477	C1	C2	H6	120.130
C1	N3	H7	111.863	C1	N3	H9	112.066
C2	C1	N3	125.477	C2	C1	H5	120.130
C2	N4	H8	111.863	C2	N4	H10	112.066
N3	C1	H5	114.027	N4	C2	H6	114.027
H7	N3	H9	108.748	H8	N4	H10	108.748

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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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All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)