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	hartrees
Energy at 0K	-189.304732
Energy at 298.15K
HF Energy	-189.304732
Nuclear repulsion energy	117.061063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3554	3447	0.35
2	A	3461	3357	0.86
3	A	3132	3038	0.01
4	A	1763	1710	0.34
5	A	1626	1577	17.55
6	A	1323	1284	0.62
7	A	1286	1248	0.00
8	A	1041	1010	0.48
9	A	930	902	59.45
10	A	832	807	109.26
11	A	555	538	0.74
12	A	334	324	0.64
13	A	258	250	15.67
14	B	3553	3446	1.04
15	B	3459	3355	1.25
16	B	3134	3040	53.34
17	B	1633	1584	34.87
18	B	1383	1342	11.21
19	B	1184	1148	97.31
20	B	1129	1095	0.76
21	B	810	786	170.75
22	B	761	739	247.16
23	B	354	343	44.37
24	B	260	252	86.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.595	0.034
C2	-0.312	-0.595	0.034
N3	-0.312	1.858	-0.114
N4	0.312	-1.858	-0.114
H5	1.409	0.640	0.038
H6	-1.409	-0.640	0.038
H7	-1.327	1.788	-0.035
H8	1.327	-1.788	-0.035
H9	0.009	2.523	0.592
H10	-0.009	-2.523	0.592

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3439	1.4165	2.4577	1.0974	2.1178	2.0282	2.5908	2.0299	3.1839
C2	1.3439		2.4577	1.4165	2.1178	1.0974	2.5908	2.0282	3.1839	2.0299
N3	1.4165	2.4577		3.7682	2.1139	2.7320	1.0206	3.9980	1.0216	4.4480
N4	2.4577	1.4165	3.7682		2.7320	2.1139	3.9980	1.0206	4.4480	1.0216
H5	1.0974	2.1178	2.1139	2.7320		3.0939	2.9677	2.4295	2.4112	3.5097
H6	2.1178	1.0974	2.7320	2.1139	3.0939		2.4295	2.9677	3.5097	2.4112
H7	2.0282	2.5908	1.0206	3.9980	2.9677	2.4295		4.4526	1.6488	4.5510
H8	2.5908	2.0282	3.9980	1.0206	2.4295	2.9677	4.4526		4.5510	1.6488
H9	2.0299	3.1839	1.0216	4.4480	2.4112	3.5097	1.6488	4.5510		5.0462
H10	3.1839	2.0299	4.4480	1.0216	3.5097	2.4112	4.5510	1.6488	5.0462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.807	C1	C2	H6	119.990
C1	N3	H7	111.619	C1	N3	H9	111.706
C2	C1	N3	125.807	C2	C1	H5	119.990
C2	N4	H8	111.619	C2	N4	H10	111.706
N3	C1	H5	113.862	N4	C2	H6	113.862
H7	N3	H9	107.677	H8	N4	H10	107.677

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/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	-0.021
2	C	-0.021
3	N	-0.116
4	N	-0.116
5	H	-0.019
6	H	-0.019
7	H	0.070
8	H	0.070
9	H	0.086
10	H	0.086

	x	y	z	Total
	0.000	0.000	2.125	2.125
CHELPG
AIM
ESP

	x	y	z
x	5.450	0.102	0.000
y	0.102	8.724	0.000
z	0.000	0.000	3.002

<r²>	98.206
(<r²>)^1/2	9.910

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)