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	hartrees
Energy at 0K	-188.002910
Energy at 298.15K
HF Energy	-188.002910
Nuclear repulsion energy	116.285068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3470	3438	0.32
2	A	3355	3324	0.21
3	A	3072	3044	0.16
4	A	1689	1674	0.23
5	A	1655	1639	15.35
6	A	1313	1301	1.94
7	A	1260	1248	0.02
8	A	1003	994	0.98
9	A	902	894	80.62
10	A	604	598	275.16
11	A	547	542	9.52
12	A	360	357	0.85
13	A	245	243	26.76
14	B	3469	3437	1.73
15	B	3351	3321	0.28
16	B	3078	3050	54.28
17	B	1657	1642	52.61
18	B	1366	1354	3.17
19	B	1166	1155	80.12
20	B	1110	1100	3.46
21	B	758	751	16.61
22	B	531	526	389.68
23	B	345	342	57.29
24	B	222	220	186.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.600	0.053
C2	-0.315	-0.600	0.053
N3	-0.315	1.863	-0.106
N4	0.315	-1.863	-0.106
H5	1.411	0.640	0.064
H6	-1.411	-0.640	0.064
H7	-1.340	1.830	-0.168
H8	1.340	-1.830	-0.168
H9	0.017	2.603	0.528
H10	-0.017	-2.603	0.528

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3553	1.4199	2.4682	1.0975	2.1255	2.0738	2.6469	2.0796	3.2549
C2	1.3553		2.4682	1.4199	2.1255	1.0975	2.6469	2.0738	3.2549	2.0796
N3	1.4199	2.4682		3.7788	2.1222	2.7380	1.0282	4.0474	1.0288	4.5203
N4	2.4682	1.4199	3.7788		2.7380	2.1222	4.0474	1.0282	4.5203	1.0288
H5	1.0975	2.1255	2.1222	2.7380		3.0995	3.0070	2.4819	2.4520	3.5738
H6	2.1255	1.0975	2.7380	2.1222	3.0995		2.4819	3.0070	3.5738	2.4520
H7	2.0738	2.6469	1.0282	4.0474	3.0070	2.4819		4.5368	1.7098	4.6781
H8	2.6469	2.0738	4.0474	1.0282	2.4819	3.0070	4.5368		4.6781	1.7098
H9	2.0796	3.2549	1.0288	4.5203	2.4520	3.5738	1.7098	4.6781		5.2057
H10	3.2549	2.0796	4.5203	1.0288	3.5738	2.4520	4.6781	1.7098	5.2057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.575	C1	C2	H6	119.759
C1	N3	H7	114.860	C1	N3	H9	115.337
C2	C1	N3	125.575	C2	C1	H5	119.759
C2	N4	H8	114.860	C2	N4	H10	115.337
N3	C1	H5	114.313	N4	C2	H6	114.313
H7	N3	H9	112.444	H8	N4	H10	112.444

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/3-21G

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	-0.045
2	C	-0.045
3	N	-0.699
4	N	-0.699
5	H	0.180
6	H	0.180
7	H	0.283
8	H	0.283
9	H	0.282
10	H	0.282

	x	y	z	Total
	0.000	0.000	2.088	2.088
CHELPG
AIM
ESP

	x	y	z
x	4.836	0.011	0.000
y	0.011	8.629	0.000
z	0.000	0.000	1.876

<r²>	99.187
(<r²>)^1/2	9.959

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)