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	hartrees
Energy at 0K	-189.190233
Energy at 298.15K
HF Energy	-189.190233
Nuclear repulsion energy	116.711142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3486	3456	0.11
2	A	3385	3356	0.29
3	A	3079	3053	0.02
4	A	1718	1703	0.29
5	A	1599	1586	16.63
6	A	1297	1286	0.58
7	A	1265	1254	0.01
8	A	1026	1017	1.05
9	A	896	889	66.01
10	A	830	822	87.89
11	A	546	541	0.53
12	A	334	331	0.36
13	A	250	248	16.27
14	B	3484	3455	1.44
15	B	3382	3354	7.26
16	B	3081	3055	62.57
17	B	1606	1593	28.03
18	B	1359	1348	12.23
19	B	1166	1157	82.89
20	B	1112	1103	0.88
21	B	780	773	382.04
22	B	744	738	44.27
23	B	357	354	46.03
24	B	259	257	76.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.599	0.043
C2	-0.313	-0.599	0.043
N3	-0.313	1.862	-0.123
N4	0.313	-1.862	-0.123
H5	1.414	0.645	0.047
H6	-1.414	-0.645	0.047
H7	-1.331	1.782	-0.033
H8	1.331	-1.782	-0.033
H9	0.001	2.530	0.589
H10	-0.001	-2.530	0.589

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3522	1.4195	2.4663	1.1011	2.1284	2.0269	2.5902	2.0308	3.1917
C2	1.3522		2.4663	1.4195	2.1284	1.1011	2.5902	2.0269	3.1917	2.0308
N3	1.4195	2.4663		3.7759	2.1197	2.7425	1.0244	3.9984	1.0255	4.4598
N4	2.4663	1.4195	3.7759		2.7425	2.1197	3.9984	1.0244	4.4598	1.0255
H5	1.1011	2.1284	2.1197	2.7425		3.1075	2.9718	2.4293	2.4173	3.5175
H6	2.1284	1.1011	2.7425	2.1197	3.1075		2.4293	2.9718	3.5175	2.4173
H7	2.0269	2.5902	1.0244	3.9984	2.9718	2.4293		4.4479	1.6491	4.5548
H8	2.5902	2.0269	3.9984	1.0244	2.4293	2.9718	4.4479		4.5548	1.6491
H9	2.0308	3.1917	1.0255	4.4598	2.4173	3.5175	1.6491	4.5548		5.0597
H10	3.1917	2.0308	4.4598	1.0255	3.5175	2.4173	4.5548	1.6491	5.0597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.686	C1	C2	H6	120.006
C1	N3	H7	111.042	C1	N3	H9	111.303
C2	C1	N3	125.686	C2	C1	H5	120.006
C2	N4	H8	111.042	C2	N4	H10	111.303
N3	C1	H5	113.879	N4	C2	H6	113.879
H7	N3	H9	107.121	H8	N4	H10	107.121

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/cc-pVDZ

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	-0.027
2	C	-0.027
3	N	-0.109
4	N	-0.109
5	H	-0.018
6	H	-0.018
7	H	0.069
8	H	0.069
9	H	0.085
10	H	0.085

	x	y	z	Total
	0.000	0.000	2.070	2.070
CHELPG
AIM
ESP

	x	y	z
x	5.566	0.018	0.000
y	0.018	9.065	0.000
z	0.000	0.000	3.072

<r²>	98.518
(<r²>)^1/2	9.926

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)